<?xml version="1.0" encoding="UTF-8"?><xml><records><record><source-app name="Biblio" version="7.x">Drupal-Biblio</source-app><ref-type>17</ref-type><contributors><authors><author><style face="normal" font="default" size="100%">Krishnaswamy, Shobhana</style></author><author><style face="normal" font="default" size="100%">Gonnade, Rajesh G.</style></author><author><style face="normal" font="default" size="100%">Bhadbhade, Mohan M.</style></author><author><style face="normal" font="default" size="100%">Shashidhar, Mysore S.</style></author></authors></contributors><titles><title><style face="normal" font="default" size="100%">Two modes of O-H center dot center dot center dot O hydrogen bonding utilized in dimorphs of racemic 6-O-acryloyl-2-O-benzoyl-myo-inositol 1,3,5-orthoformate</style></title><secondary-title><style face="normal" font="default" size="100%">Acta Crystallographica Section C-Crystal Structure Communications</style></secondary-title></titles><dates><year><style  face="normal" font="default" size="100%">2009</style></year><pub-dates><date><style  face="normal" font="default" size="100%">FEB</style></date></pub-dates></dates><publisher><style face="normal" font="default" size="100%">WILEY-BLACKWELL PUBLISHING, INC</style></publisher><pub-location><style face="normal" font="default" size="100%">COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA</style></pub-location><volume><style face="normal" font="default" size="100%">65</style></volume><pages><style face="normal" font="default" size="100%">O54-O57</style></pages><language><style face="normal" font="default" size="100%">eng</style></language><abstract><style face="normal" font="default" size="100%">&lt;p&gt;The title compound, C(17)H(16)O(8), yields conformational dimorphs [forms (I) and (II)] at room temperature, separately or concomitantly, depending on the solvent of crystallization. The yield of crystals of form (I) is always much more than that of crystals of form (II). The molecule has one donor -OH group that can make intermolecular O-H center dot center dot center dot O hydrogen bonds with one of the two acceptor C O groups, as well as with the hydroxyl O atom; interestingly, each of the options is utilized separately in the dimorphs. The crystal structure of form (I) contains one molecule in the asymmetric unit and is organized as a planar sheet of centrosymmetric dimers via O H center dot center dot center dot O hydrogen bonds involving the OH group and the carbonyl O atom of the acryloyl group. In the crystal structure of form (II), which contains two independent molecules in the asymmetric unit, two different O-H center dot center dot center dot O hydrogen bonds, viz. hydroxyl-hydroxyl and hydroxyl-carbonyl (benzoyl), connect the molecules in a layered arrangement. Another notable feature is the transformation of form (II) to form (I) via melt crystallization upon heating to 411 K. The higher yield of form (I) during crystallization and the thermal transition of form (II) to form (I) suggest that the association in form (I) is more highly favoured than that in form (II), which is valuable in understanding the priorities of molecular aggregation during nucleation of various polymorphs.&lt;/p&gt;</style></abstract><custom3><style face="normal" font="default" size="100%">Foreign</style></custom3><custom4><style face="normal" font="default" size="100%">0.745</style></custom4></record><record><source-app name="Biblio" version="7.x">Drupal-Biblio</source-app><ref-type>17</ref-type><contributors><authors><author><style face="normal" font="default" size="100%">Krishnaswamy, Shobhana</style></author><author><style face="normal" font="default" size="100%">Gonnade, Rajesh G.</style></author><author><style face="normal" font="default" size="100%">Shashidhar, Mysore S.</style></author><author><style face="normal" font="default" size="100%">Bhadbhade, Mohan M.</style></author></authors></contributors><titles><title><style face="normal" font="default" size="100%">Helical self-assembly of molecules in pseudopolymorphs of racemic 2,6-di-O-(4-halobenzoyl)-myo-inositol 1,3,5-orthoformates: clues for the construction of molecular assemblies for intermolecular acyl transfer reaction</style></title><secondary-title><style face="normal" font="default" size="100%">Crystengcomm</style></secondary-title></titles><dates><year><style  face="normal" font="default" size="100%">2010</style></year><pub-dates><date><style  face="normal" font="default" size="100%">Aug</style></date></pub-dates></dates><number><style face="normal" font="default" size="100%">12</style></number><publisher><style face="normal" font="default" size="100%">ROYAL SOC CHEMISTRY</style></publisher><pub-location><style face="normal" font="default" size="100%">THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND</style></pub-location><volume><style face="normal" font="default" size="100%">12</style></volume><pages><style face="normal" font="default" size="100%">4184-4197</style></pages><language><style face="normal" font="default" size="100%">eng</style></language><abstract><style face="normal" font="default" size="100%">&lt;p&gt;The crystal structure of racemic 2,6-di-O-benzoyl-myo-inositol 1,3,5-orthoformate (1) which underwent a facile intermolecular benzoyl transfer reaction in the solid state, revealed a helical assembly of molecules along the two-fold screw axis via O-H center dot center dot center dot O hydrogen bond bringing the electrophile (C=O) and the nucleophile (-OH) in close proximity along the helical axis. However, structurally related racemic 2,6-di-O-(p-halobenzoyl)-myo-inositol 1,3,5-orthoformates (bromo (2) and chloro (3)) produced triclinic dimorphs (both P (1) over bar) when crystallized from methanol and ethyl acetate. Molecules in either form did not assemble spirally (like 1), and instead exhibited a one-dimensional isostructurality, bridging O-H center dot center dot center dot O linked identical molecular strings via C-H center dot center dot center dot O interactions across the inversion center. However, the molecules of 2 and 3 assembled in a helical manner similar to 1 with inclusion of solvent molecules in the crystal lattice when crystallized from other common organic solvents. Remarkably, in all the solvates the host molecules formed strikingly similar helices around the crystallographic 2(1)-screw axis through O-H center dot center dot center dot O bond involving the -OH group and carbonyl oxygen of the equatorial C2-O-benzoyl group. Comparison of the crystal structure of dimorphs and the solvatomorphs revealed that the solvent molecules, which interact with the orthoformate-bridge, trigger the helix formation of the host. The difference in the crystal structures of solvatomorphs arises in the interlinking of the neighbouring helices, which creates voids of different sizes to accommodate the solvent molecules. All the solvates crystallized in the monoclinic system distributed over three different space groups P2(1)/n, P2(1)/c and C2/c. In the P2(1)/n system, the adjacent helices are linked via C-X center dot center dot center dot O contacts, in P2(1)/c via C-H center dot center dot center dot X (X Cl, Br) contacts and in C2/c via short X center dot center dot center dot X contacts (X = Cl). The helical organization achieved through solvent mediation and inclusion is of significance in creating molecular packing for intermolecular acyl transfer reactions in crystals.&lt;/p&gt;</style></abstract><issue><style face="normal" font="default" size="100%">12</style></issue><custom3><style face="normal" font="default" size="100%">Foreign</style></custom3><custom4><style face="normal" font="default" size="100%">4.006</style></custom4></record><record><source-app name="Biblio" version="7.x">Drupal-Biblio</source-app><ref-type>17</ref-type><contributors><authors><author><style face="normal" font="default" size="100%">Krishnaswamy, Shobhana</style></author><author><style face="normal" font="default" size="100%">Patil, Madhuri T.</style></author><author><style face="normal" font="default" size="100%">Shashidhar, Mysore S.</style></author></authors></contributors><titles><title><style face="normal" font="default" size="100%">Comparison of racemic epi-inosose and (-)-epi-inosose</style></title><secondary-title><style face="normal" font="default" size="100%">ACTA Crystallographica Section C-Crystal Structure Communications</style></secondary-title></titles><dates><year><style  face="normal" font="default" size="100%">2011</style></year><pub-dates><date><style  face="normal" font="default" size="100%">NOV</style></date></pub-dates></dates><number><style face="normal" font="default" size="100%">11</style></number><publisher><style face="normal" font="default" size="100%">WILEY-BLACKWELL</style></publisher><pub-location><style face="normal" font="default" size="100%">COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA</style></pub-location><volume><style face="normal" font="default" size="100%">67</style></volume><pages><style face="normal" font="default" size="100%">O435-O438</style></pages><language><style face="normal" font="default" size="100%">eng</style></language><abstract><style face="normal" font="default" size="100%">&lt;p&gt;The conversion of myo-inositol to epi-inositol can be achieved by the hydride reduction of an intermediate epi-inosose derived from myo-inositol. (-)-epi-Inosose, (I), crystallized in the monoclinic space group P2(1), with two independent molecules in the asymmetric unit [Hosomi et al. (2000). Acta Cryst. C56, e584-e585]. On the other hand, (2RS,3SR,5SR,6SR)epi-inosose, C6H10O6, (II), crystallized in the orthorhombic space group Pca2(1). Interestingly, the conformation of the molecules in the two structures is nearly the same, the only difference being the orientation of the C-3 and C-4 hydroxy H atoms. As a result, the molecular organization achieved mainly through strong O-H center dot center dot center dot O hydrogen bonding in the racemic and homochiral lattices is similar. The compound also follows Wallach's rule, in that the racemic crystals are denser than the optically active form.&lt;/p&gt;</style></abstract><custom3><style face="normal" font="default" size="100%">Foreign</style></custom3><custom4><style face="normal" font="default" size="100%">0.62</style></custom4></record><record><source-app name="Biblio" version="7.x">Drupal-Biblio</source-app><ref-type>17</ref-type><contributors><authors><author><style face="normal" font="default" size="100%">Krishnaswamy, Shobhana</style></author><author><style face="normal" font="default" size="100%">Shashidhar, Mysore S.</style></author><author><style face="normal" font="default" size="100%">Bhadbhade, Mohan M.</style></author></authors></contributors><titles><title><style face="normal" font="default" size="100%">Intermolecular benzoyl group transfer reactivity in crystals of racemic 2,6-di-O-benzoyl-myo-inositol 1,3,5-orthobenzoate: controlling reactivity by solvate (pseudopolymorph) formation</style></title><secondary-title><style face="normal" font="default" size="100%">Crystengcomm</style></secondary-title></titles><dates><year><style  face="normal" font="default" size="100%">2011</style></year><pub-dates><date><style  face="normal" font="default" size="100%">MAY</style></date></pub-dates></dates><number><style face="normal" font="default" size="100%">9</style></number><publisher><style face="normal" font="default" size="100%">ROYAL SOC CHEMISTRY</style></publisher><pub-location><style face="normal" font="default" size="100%">THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND</style></pub-location><volume><style face="normal" font="default" size="100%">13</style></volume><pages><style face="normal" font="default" size="100%">3258-3264</style></pages><language><style face="normal" font="default" size="100%">eng</style></language><abstract><style face="normal" font="default" size="100%">&lt;p&gt;Racemic 2,6-di-O-benzoyl-myo-inositol 1,3,5-orthobenzoate (rac-3), which usually crystallizes in a monoclinic lattice (Form I, P2(1)/c) from common organic solvents, when crystallized from 2-propanol yielded concomitantly, thin whisker like crystals (Form II, triclinic, P (1) over bar) with inclusion of 2-propanol and water molecules, along with the Form I crystals. Thin fibre-like crystals were also obtained on crystallization from toluene, with inclusion of toluene and water in the crystal lattice (Form III). The Form II and Form III crystals could be converted into the Form I crystals thermally via melt crystallization. Form I crystals exhibit a facile transesterification reaction, but the solvated crystals are unreactive under the same conditions until their transformation to the reactive form. The reactivity patterns of the Form I and Form II crystals correlate well with the molecular organization in them. Since reactivity of the crystals of rac-3 depends on the solvent and the method of crystallization, and the thermal transition of one crystal form to the other, these phase changes can be used as a switch to control the benzoyl transfer reactivity of the constituent molecules in crystals.&lt;/p&gt;</style></abstract><issue><style face="normal" font="default" size="100%">9</style></issue><custom3><style face="normal" font="default" size="100%">Foreign</style></custom3><custom4><style face="normal" font="default" size="100%">3.68
</style></custom4></record><record><source-app name="Biblio" version="7.x">Drupal-Biblio</source-app><ref-type>17</ref-type><contributors><authors><author><style face="normal" font="default" size="100%">Patil, Madhuri T.</style></author><author><style face="normal" font="default" size="100%">Krishnaswamy, Shobhana</style></author><author><style face="normal" font="default" size="100%">Sarmah, Manash P.</style></author><author><style face="normal" font="default" size="100%">Shashidhar, Mysore S.</style></author></authors></contributors><titles><title><style face="normal" font="default" size="100%">Protecting group directed stereoselective reduction of an epi-inosose: efficient synthesis of epi-inositol</style></title><secondary-title><style face="normal" font="default" size="100%">Tetrahedron Letters</style></secondary-title></titles><keywords><keyword><style  face="normal" font="default" size="100%">Cyclitol</style></keyword><keyword><style  face="normal" font="default" size="100%">Inositol</style></keyword><keyword><style  face="normal" font="default" size="100%">Polyol</style></keyword><keyword><style  face="normal" font="default" size="100%">reduction</style></keyword><keyword><style  face="normal" font="default" size="100%">Stereoselective</style></keyword></keywords><dates><year><style  face="normal" font="default" size="100%">2011</style></year><pub-dates><date><style  face="normal" font="default" size="100%">JUL</style></date></pub-dates></dates><number><style face="normal" font="default" size="100%">29</style></number><publisher><style face="normal" font="default" size="100%">PERGAMON-ELSEVIER SCIENCE LTD</style></publisher><pub-location><style face="normal" font="default" size="100%">THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND</style></pub-location><volume><style face="normal" font="default" size="100%">52</style></volume><pages><style face="normal" font="default" size="100%">3756-3758</style></pages><language><style face="normal" font="default" size="100%">eng</style></language><abstract><style face="normal" font="default" size="100%">&lt;p&gt;A facile and high yielding synthesis of epi-inositol via stereoselective reduction of a pentaprotected epi-inosose is reported. Extent of stereoselectivity during the hydride reduction appears to depend on the ability of the substrate to complex with metal ions in the reducing agent. (C) 2011 Elsevier Ltd. All rights reserved.&lt;/p&gt;</style></abstract><issue><style face="normal" font="default" size="100%">29</style></issue><custom3><style face="normal" font="default" size="100%">Foreign</style></custom3><custom4><style face="normal" font="default" size="100%">2.683
</style></custom4></record><record><source-app name="Biblio" version="7.x">Drupal-Biblio</source-app><ref-type>17</ref-type><contributors><authors><author><style face="normal" font="default" size="100%">Gurale, Bharat P.</style></author><author><style face="normal" font="default" size="100%">Krishnaswamy, Shobhana</style></author><author><style face="normal" font="default" size="100%">Vanka, Kumar</style></author><author><style face="normal" font="default" size="100%">Shashidhar, Mysore S.</style></author></authors></contributors><titles><title><style face="normal" font="default" size="100%">Thermal epimerization of inositol 1,3-benzylidene acetals in the molten state</style></title><secondary-title><style face="normal" font="default" size="100%">Tetrahedron</style></secondary-title></titles><keywords><keyword><style  face="normal" font="default" size="100%">cyclitols</style></keyword><keyword><style  face="normal" font="default" size="100%">Deoxygenation</style></keyword><keyword><style  face="normal" font="default" size="100%">Epimerization</style></keyword><keyword><style  face="normal" font="default" size="100%">Melt</style></keyword><keyword><style  face="normal" font="default" size="100%">Xanthate</style></keyword></keywords><dates><year><style  face="normal" font="default" size="100%">2011</style></year><pub-dates><date><style  face="normal" font="default" size="100%">SEP</style></date></pub-dates></dates><number><style face="normal" font="default" size="100%">38</style></number><publisher><style face="normal" font="default" size="100%">PERGAMON-ELSEVIER SCIENCE LTD</style></publisher><pub-location><style face="normal" font="default" size="100%">THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND</style></pub-location><volume><style face="normal" font="default" size="100%">67</style></volume><pages><style face="normal" font="default" size="100%">7280-7288</style></pages><language><style face="normal" font="default" size="100%">eng</style></language><abstract><style face="normal" font="default" size="100%">&lt;p&gt;1,3-O-Benzylidene-2,4,5,6-tetra-O-substituted-myo-inositol derivatives obtained by the DIBAL-H reduction of the corresponding myo-inositol 1,3,5-orthobenzoate derivatives undergo epimerization at the acetal carbon on heating, in the molten state, just above their melting point. The same epimerization reaction does not proceed either in the crystalline state or in solution. DFT calculations suggest that the epimeric acetal obtained by this thermal process is relatively more stable than the starting acetal. Either of these acetals could not be obtained by the reaction of the corresponding inositol derived diol with benzaldehyde. These observations constitute a novel reaction solely in the molten state, which are rarely encountered in the literature. X-ray crystal structures of the epimeric acetals as well as their radical deoxygenation reaction are also reported. (C) 2011 Elsevier Ltd. All rights reserved.&lt;/p&gt;</style></abstract><issue><style face="normal" font="default" size="100%">38</style></issue><custom3><style face="normal" font="default" size="100%">Foreign</style></custom3><custom4><style face="normal" font="default" size="100%">3.025
</style></custom4></record><record><source-app name="Biblio" version="7.x">Drupal-Biblio</source-app><ref-type>17</ref-type><contributors><authors><author><style face="normal" font="default" size="100%">Sardessai, Richa</style></author><author><style face="normal" font="default" size="100%">Krishnaswamy, Shobhana</style></author><author><style face="normal" font="default" size="100%">Shashidhar, Mysore S.</style></author></authors></contributors><titles><title><style face="normal" font="default" size="100%">Achieving molecular stability of racemic 4-O-benzyl-myo-inositol-1,3,5-orthoformate through crystal formation</style></title><secondary-title><style face="normal" font="default" size="100%">Crystengcomm</style></secondary-title></titles><dates><year><style  face="normal" font="default" size="100%">2012</style></year><pub-dates><date><style  face="normal" font="default" size="100%">AUG</style></date></pub-dates></dates><number><style face="normal" font="default" size="100%">23</style></number><publisher><style face="normal" font="default" size="100%">ROYAL SOC CHEMISTRY</style></publisher><pub-location><style face="normal" font="default" size="100%">THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND</style></pub-location><volume><style face="normal" font="default" size="100%">14</style></volume><pages><style face="normal" font="default" size="100%">8010-8016</style></pages><language><style face="normal" font="default" size="100%">eng</style></language><abstract><style face="normal" font="default" size="100%">&lt;p&gt;Molecular stability of racemic 4-O-benzyl-myo-inositol-1,3,5-orthoformate, an early intermediate during the synthesis of phosphoinositols, depends on the phase in which it is stored. This orthoformate is stable when stored in the crystalline form or as solution in common organic solvents. The former has eluded chemists since the preparation of this benzyl ether two decades ago. The difficulty in obtaining crystals of this orthoformate is due to the cleavage of the orthoformate moiety during storage in the gummy state. Dimorphs (form I and form II) of crystalline racemic 4-O-benzyl-myo-inositol-1,3,5-orthoformate, were obtained when the gummy sample was stored over extended periods of time. Form I crystals could be obtained consistently, by crystallization of a frozen (-20 degrees C) solid sample, from a solution of dichloromethane- light petroleum. The two crystal forms display dissimilar patterns of hydrogen bonding and molecular assembly in the solid-state.&lt;/p&gt;</style></abstract><issue><style face="normal" font="default" size="100%">23</style></issue><custom3><style face="normal" font="default" size="100%">Foreign</style></custom3><custom4><style face="normal" font="default" size="100%">3.879
</style></custom4></record><record><source-app name="Biblio" version="7.x">Drupal-Biblio</source-app><ref-type>17</ref-type><contributors><authors><author><style face="normal" font="default" size="100%">Ramana, Chepuri V.</style></author><author><style face="normal" font="default" size="100%">Goriya, Yogesh</style></author><author><style face="normal" font="default" size="100%">Durugkar, Kulbhushan A.</style></author><author><style face="normal" font="default" size="100%">Chatterjee, Soumitra</style></author><author><style face="normal" font="default" size="100%">Krishnaswamy, Shobhana</style></author><author><style face="normal" font="default" size="100%">Gonnade, Rajesh G.</style></author></authors></contributors><titles><title><style face="normal" font="default" size="100%">Evaluation of viability of halogen•••O2N interactions: insight form crystal packing in a series of isomeric halo and nitro substituted triaryl compounds with modular positioning of halogen and NO2 groups</style></title><secondary-title><style face="normal" font="default" size="100%">CrystEngComm</style></secondary-title></titles><dates><year><style  face="normal" font="default" size="100%">2013</style></year><pub-dates><date><style  face="normal" font="default" size="100%">APR</style></date></pub-dates></dates><volume><style face="normal" font="default" size="100%">15</style></volume><pages><style face="normal" font="default" size="100%">5283-5300</style></pages><language><style face="normal" font="default" size="100%">eng</style></language><abstract><style face="normal" font="default" size="100%">&lt;p&gt;A series of isomeric triaryl compounds with a modular positioning of the halogen and NO2 groups have been synthesized by the azide–alkyne “click reaction” and have been characterized by single crystal X-ray structure analysis. This isomeric series has provided an opportunity for understanding the efficiency of the bifurcated halogen⋯NO2 synthon in the organization of the molecules in the crystalline lattice. The changes in molecular conformation, crystal packing and supramolecular aggregation due to the change in the relative positioning of the complementary groups, halogen atom and the NO2 group on ring A and ring C respectively, have been discussed. All the isomers synthesized are crystalline and establish the triazole as a reliable linker for crystal engineering oriented molecular synthesis. The 2-NO2 derivatives display in general, a helical architecture and 3-NO2 derivatives exhibit a centrosymmetric dimeric assembly via the complementary C–H⋯O interactions leading to either a helical or a 2-dimensional sheet pattern. The molecular organization in 4-NO2 derivatives revealed in general a 2D sheet pattern.&lt;/p&gt;</style></abstract><issue><style face="normal" font="default" size="100%">26</style></issue><custom2><style face="normal" font="default" size="100%">&lt;p&gt;Council of Scientific &amp;amp; Industrial Research (CSIR) - India&lt;/p&gt;</style></custom2><custom3><style face="normal" font="default" size="100%">Foreign</style></custom3><custom4><style face="normal" font="default" size="100%">3.858
</style></custom4></record><record><source-app name="Biblio" version="7.x">Drupal-Biblio</source-app><ref-type>17</ref-type><contributors><authors><author><style face="normal" font="default" size="100%">Tamboli, Majid I.</style></author><author><style face="normal" font="default" size="100%">Krishnaswamy, Shobhana</style></author><author><style face="normal" font="default" size="100%">Gonnade, Rajesh G.</style></author><author><style face="normal" font="default" size="100%">Shashidhar, Mysore S.</style></author></authors></contributors><titles><title><style face="normal" font="default" size="100%">Identification of molecular crystals capable of undergoing an acyl-transfer reaction based on intermolecular interactions in the crystal lattice</style></title><secondary-title><style face="normal" font="default" size="100%">Chemistry-A European Journal</style></secondary-title></titles><keywords><keyword><style  face="normal" font="default" size="100%">Acylation</style></keyword><keyword><style  face="normal" font="default" size="100%">domino reactions</style></keyword><keyword><style  face="normal" font="default" size="100%">intermolecular interactions</style></keyword><keyword><style  face="normal" font="default" size="100%">solid-state reactions</style></keyword><keyword><style  face="normal" font="default" size="100%">X-ray diffraction</style></keyword></keywords><dates><year><style  face="normal" font="default" size="100%">2013</style></year><pub-dates><date><style  face="normal" font="default" size="100%">SEP</style></date></pub-dates></dates><number><style face="normal" font="default" size="100%">38</style></number><publisher><style face="normal" font="default" size="100%">WILEY-V C H VERLAG GMBH</style></publisher><pub-location><style face="normal" font="default" size="100%">BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY</style></pub-location><volume><style face="normal" font="default" size="100%">19</style></volume><pages><style face="normal" font="default" size="100%">12867-12874</style></pages><language><style face="normal" font="default" size="100%">eng</style></language><abstract><style face="normal" font="default" size="100%">&lt;p&gt;Investigation of the intermolecular acyl-transfer reactivity in molecular crystals of myo-inositol orthoester derivatives and its correlation with crystal structures enabled us to identify the essential parameters to support efficient acyl-transfer reactions in crystals: 1)the favorable geometry of the nucleophile (OH) and the electrophile (CO) and 2)the molecular assembly, reinforced by CH interactions, which supports a domino-type reaction in crystals. These parameters were used to identify another reactive crystal through a data-mining study of the Cambridge Structural Database. A 2:1 co-crystal of 2,3-naphthalene diol and its di-p-methylbenzoate was selected as a potentially reactive crystal and its reactivity was tested by heating the co-crystals in the presence of solid sodium carbonate. A facile intermolecular p-toluoyl group transfer was observed as predicted. The successful identification of reactive crystals opens up a new method for the detection of molecular crystals capable of exhibiting acyl-transfer reactivity.&lt;/p&gt;</style></abstract><issue><style face="normal" font="default" size="100%">38</style></issue><custom3><style face="normal" font="default" size="100%">Foreign</style></custom3><custom4><style face="normal" font="default" size="100%">5.696
</style></custom4></record><record><source-app name="Biblio" version="7.x">Drupal-Biblio</source-app><ref-type>17</ref-type><contributors><authors><author><style face="normal" font="default" size="100%">Jagdhane, Rajendra C.</style></author><author><style face="normal" font="default" size="100%">Patil, Madhuri T.</style></author><author><style face="normal" font="default" size="100%">Krishnaswamy, Shobhana</style></author><author><style face="normal" font="default" size="100%">Shashidhar, Mysore S.</style></author></authors></contributors><titles><title><style face="normal" font="default" size="100%">Orientation of the beta-hydroxyl group controls the diastereoselectivity during the hydride reduction and grignard reaction of inososes</style></title><secondary-title><style face="normal" font="default" size="100%">Tetrahedron</style></secondary-title></titles><keywords><keyword><style  face="normal" font="default" size="100%">Cyclitol</style></keyword><keyword><style  face="normal" font="default" size="100%">diastereoselectivity</style></keyword><keyword><style  face="normal" font="default" size="100%">Grignard</style></keyword><keyword><style  face="normal" font="default" size="100%">Inositol</style></keyword><keyword><style  face="normal" font="default" size="100%">Nucleophile</style></keyword><keyword><style  face="normal" font="default" size="100%">reduction</style></keyword></keywords><dates><year><style  face="normal" font="default" size="100%">2013</style></year><pub-dates><date><style  face="normal" font="default" size="100%">JUN</style></date></pub-dates></dates><number><style face="normal" font="default" size="100%">25</style></number><publisher><style face="normal" font="default" size="100%">PERGAMON-ELSEVIER SCIENCE LTD</style></publisher><pub-location><style face="normal" font="default" size="100%">THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND</style></pub-location><volume><style face="normal" font="default" size="100%">69</style></volume><pages><style face="normal" font="default" size="100%">5144-5151</style></pages><language><style face="normal" font="default" size="100%">eng</style></language><abstract><style face="normal" font="default" size="100%">&lt;p&gt;A comparison of the results of the Grignard reaction and the hydride reduction of the carbonyl group of epi- and scyllo-inososes reveals that the extent of diastereoselectivity of these reactions is decided by the orientation of the beta-hydroxyl group (or its derivative). Presence of an axial beta-hydroxyl group generally results in the formation of relatively larger amount of the axial alcohol as a result of the reduction of the carbonyl group. The possible reasons for the observed differences in diastereoselectivity between the reactions of these isomeric epi- and scyllo-inososes have been discussed. The sequence of reactions reported here provides convenient access to C-allcylated inositols, such as iso-laminitol and iso-mytilitol as well as 2-O-methyl epi-inositol, an epimer of the naturally occurring ononitol. (C) 2013 Elsevier Ltd. All rights reserved.&lt;/p&gt;</style></abstract><issue><style face="normal" font="default" size="100%">25</style></issue><custom3><style face="normal" font="default" size="100%">Foreign</style></custom3><custom4><style face="normal" font="default" size="100%">2.817
</style></custom4></record><record><source-app name="Biblio" version="7.x">Drupal-Biblio</source-app><ref-type>17</ref-type><contributors><authors><author><style face="normal" font="default" size="100%">Tamboli, Majid I.</style></author><author><style face="normal" font="default" size="100%">Krishnaswamy, Shobhana</style></author><author><style face="normal" font="default" size="100%">Gonnade, Rajesh G.</style></author><author><style face="normal" font="default" size="100%">Shashidhar, Mysore S.</style></author></authors></contributors><titles><title><style face="normal" font="default" size="100%">Crystal-to-crystal thermal phase transformation of polymorphs of isomeric 2,3-naphthalene diol ditoluates: mechanism and implications for molecular crystal formation and melting</style></title><secondary-title><style face="normal" font="default" size="100%">Crystal Growth &amp; Design</style></secondary-title></titles><dates><year><style  face="normal" font="default" size="100%">2014</style></year><pub-dates><date><style  face="normal" font="default" size="100%">OCT</style></date></pub-dates></dates><number><style face="normal" font="default" size="100%">10</style></number><publisher><style face="normal" font="default" size="100%">AMER CHEMICAL SOC</style></publisher><pub-location><style face="normal" font="default" size="100%">1155 16TH ST, NW, WASHINGTON, DC 20036 USA</style></pub-location><volume><style face="normal" font="default" size="100%">14</style></volume><pages><style face="normal" font="default" size="100%">4985-4996</style></pages><language><style face="normal" font="default" size="100%">eng</style></language><abstract><style face="normal" font="default" size="100%">&lt;p&gt;Isomeric para- (1) and meta- (2) ditoluate derivatives of naphthalene 2,3-diol exhibited polymorphism producing three (Forms 1I, 1II, 1III) and two (Forms 2I, 2II) polymorphs each, respectively, depending on the solvent and conditions of crystallization. Crystal forms 1I, 1II, and 2I could be obtained repeatedly, whereas crystal forms 1III and 2II were obtained (separately) in one of the crystallization experiments, each. All the crystal forms were stable at ambient conditions, except for Form 2II, which disintegrated to a powder over 45 days. In contrast, the ortho-ditoluate (3) of naphthalene 2,3-diol did not exhibit polymorphism; it yielded fibrous chiral crystals from different solvents/conditions. Crystal structure analysis of all these polymorphs revealed dominance of energetically similar weak intermolecular interactions such as CH center dot center dot center dot O, CH center dot center dot center dot pi, pi center dot center dot center dot pi, and their interplay in molecular aggregation resulting in polymorphic modifications. Differential scanning calorimetry (DSC), hot stage microscopy, single crystal and powder X-ray diffraction measurements revealed crystal-to-crystal thermal transformation of Forms 1I and 1II crystals to Form 1III crystals and Form 2II crystals to Form 2I crystals. The transformation of Form 1I and Form 1II crystals to Form 1III crystals can be viewed as progressive destabilization of the crystal lattice during heating and converting to metastable phase, whereas the conversion of Form 2II to Form 2I crystals can be considered as reorganization of an unstable crystalline phase to a stable crystalline phase. Hence comparative studies of the structure of stable, metastable, or transient crystals and crystal-to-crystal transformations involving these forms could aid in unraveling the process of crystallization.&lt;/p&gt;</style></abstract><issue><style face="normal" font="default" size="100%">10</style></issue><work-type><style face="normal" font="default" size="100%">Article</style></work-type><custom3><style face="normal" font="default" size="100%">&lt;p&gt;Foreign&lt;/p&gt;</style></custom3><custom4><style face="normal" font="default" size="100%">&lt;p&gt;4.425&lt;/p&gt;</style></custom4></record><record><source-app name="Biblio" version="7.x">Drupal-Biblio</source-app><ref-type>17</ref-type><contributors><authors><author><style face="normal" font="default" size="100%">Tamboli, Majid I.</style></author><author><style face="normal" font="default" size="100%">Shashidhar, Mysore S.</style></author><author><style face="normal" font="default" size="100%">Gonnade, Rajesh G.</style></author><author><style face="normal" font="default" size="100%">Krishnaswamy, Shobhana</style></author></authors></contributors><titles><title><style face="normal" font="default" size="100%">Intramolecular cyclization of carbonate and thiocarbonate derivatives of myo-inositol in the solid state: implications for acyl group transfer reactions in molecular crystals</style></title><secondary-title><style face="normal" font="default" size="100%">Chemistry-A European Journal</style></secondary-title></titles><keywords><keyword><style  face="normal" font="default" size="100%">crystal engineering</style></keyword><keyword><style  face="normal" font="default" size="100%">cyclitols</style></keyword><keyword><style  face="normal" font="default" size="100%">inositols</style></keyword><keyword><style  face="normal" font="default" size="100%">nucleophilic substitution</style></keyword><keyword><style  face="normal" font="default" size="100%">solid-phase synthesis</style></keyword></keywords><dates><year><style  face="normal" font="default" size="100%">2015</style></year><pub-dates><date><style  face="normal" font="default" size="100%">SEP</style></date></pub-dates></dates><number><style face="normal" font="default" size="100%">39</style></number><publisher><style face="normal" font="default" size="100%">WILEY-V C H VERLAG GMBH</style></publisher><pub-location><style face="normal" font="default" size="100%">POSTFACH 101161, 69451 WEINHEIM, GERMANY</style></pub-location><volume><style face="normal" font="default" size="100%">21</style></volume><pages><style face="normal" font="default" size="100%">13676-13682</style></pages><language><style face="normal" font="default" size="100%">eng</style></language><abstract><style face="normal" font="default" size="100%">&lt;p&gt;Racemic 4-O-phenoxycarbonyl and 4-O-phenoxythiocarbonyl derivatives of myo-inositol orthoformate undergo thermal intramolecular cyclization in the solid state to yield the corresponding 4,6-bridged carbonates and thiocarbonates, respectively. The thermal cyclization also occurs in the solution and molten states, but less efficiently, suggesting that these cyclization reactions are aided by molecular pre-organization, although not strictly topochemically controlled. Crystal structures of two carbonates and a thiocarbonate clearly revealed that the relative orientation of the electrophile and the nucleophile in the crystal lattice facilitates the intramolecular cyclization reaction and forbids the intermolecular reaction. The correlation observed between the chemical reactivity and the non-covalent interactions in the crystal of the reactants provides a way to estimate the chemical stability of analogous molecules in the solid state.&lt;/p&gt;</style></abstract><issue><style face="normal" font="default" size="100%">39</style></issue><custom3><style face="normal" font="default" size="100%">&lt;p&gt;Foreign&lt;/p&gt;</style></custom3><custom4><style face="normal" font="default" size="100%">5.771</style></custom4></record><record><source-app name="Biblio" version="7.x">Drupal-Biblio</source-app><ref-type>17</ref-type><contributors><authors><author><style face="normal" font="default" size="100%">Krishnaswamy, Shobhana</style></author><author><style face="normal" font="default" size="100%">Shashidhar, Mysore S.</style></author><author><style face="normal" font="default" size="100%">Bhadbhade, Mohan M.</style></author></authors></contributors><titles><title><style face="normal" font="default" size="100%">Helical preorganization of molecules drives solid-state intermolecular acyl-transfer reactivity in crystals: structures and reactivity studies of solvates of racemic 2,6-Di-O-(4-fluorobenzoyl)-myo-inositol 1,3,5-orthoformate</style></title><secondary-title><style face="normal" font="default" size="100%">Crystal Growth &amp; Design</style></secondary-title></titles><dates><year><style  face="normal" font="default" size="100%">2017</style></year><pub-dates><date><style  face="normal" font="default" size="100%">JAN</style></date></pub-dates></dates><volume><style face="normal" font="default" size="100%">17</style></volume><pages><style face="normal" font="default" size="100%">117-126</style></pages><language><style face="normal" font="default" size="100%">eng</style></language><abstract><style face="normal" font="default" size="100%">Racemic 2,6-di-O-(4-fluorobenzoyl)-myo-inositol 1,3,5-orthoformate yielded structurally dissimilar solvent-free and solvated crystals depending upon the solvent of crystallization. The solvated crystals exhibited helical assembly of host molecules, due to the interaction of the guest molecules with the orthoformate moiety of the host. Some of the solvates showed specific but incomplete benzoyl group transfer reactivity below the phase transition temperature, whereas the reaction in solvent-free crystals led to a mixture of several products. These results reveal the necessity of helical molecular packing of the reacting molecules in their crystals to facilitate specific intermolecular acyl transfer reactivity. The crystal, structures of the fluorobenzoate solvates were similar to those of the solvates of the analogous chloro and bromobenzoates. The latter could be thermally :transformed into their solvent-free form via melt crystallization, resulting in the conversion of a helical molecular packing into a nonhelical molecular packing.</style></abstract><issue><style face="normal" font="default" size="100%">1</style></issue><custom3><style face="normal" font="default" size="100%">Foreign</style></custom3><custom4><style face="normal" font="default" size="100%">4.425</style></custom4></record><record><source-app name="Biblio" version="7.x">Drupal-Biblio</source-app><ref-type>17</ref-type><contributors><authors><author><style face="normal" font="default" size="100%">Krishnaswamy, Shobhana</style></author><author><style face="normal" font="default" size="100%">Shashidhar, Mysore S.</style></author></authors></contributors><titles><title><style face="normal" font="default" size="100%">Correlation of intermolecular acyl transfer reactivity with noncovalent lattice interactions in molecular crystals: toward prediction of reactivity of organic molecules in the solid state</style></title><secondary-title><style face="normal" font="default" size="100%">Journal of Organic Chemistry</style></secondary-title></titles><dates><year><style  face="normal" font="default" size="100%">2018</style></year><pub-dates><date><style  face="normal" font="default" size="100%">APR</style></date></pub-dates></dates><volume><style face="normal" font="default" size="100%">83</style></volume><pages><style face="normal" font="default" size="100%">3952-3959</style></pages><language><style face="normal" font="default" size="100%">eng</style></language><abstract><style face="normal" font="default" size="100%">Intermolecular acyl transfer reactivity in several molecular Acyl transfer reactivity can be predicted in solution based crystals was studied, and the outcome of the reactivity was analyzed in the light of structural information obtained from the crystals of the reactants. in solid state Minor changes in the molecular structure resulted in significant variations in the noncovalent interactions and packing of molecules in the crystal lattice, which drastically affected the facility of the intermolecular acyl transfer reactivity in these crystals. Analysis of the reactivity vs crystal structure data revealed dependence of the reactivity on electrophile ... nucleophile interactions and C-H center dot center dot center dot pi interactions between the reacting molecules. The presence of these noncovalent interactions augmented the acyl transfer reactivity, while their absence hindered the reactivity of the molecules in the crystal. The validity of these correlations allows the prediction of intermolecular acyl transfer reactivity in crystals and co-crystals of unknown reactivity. This crystal structure-reactivity correlation parallels the molecular structure-reactivity correlation in solution-state reactions, widely accepted as organic functional group transformations, and sets the stage for the development of a similar approach for reactions in the solid state.</style></abstract><issue><style face="normal" font="default" size="100%">7</style></issue><custom3><style face="normal" font="default" size="100%">Foreign</style></custom3><custom4><style face="normal" font="default" size="100%">4.849</style></custom4></record><record><source-app name="Biblio" version="7.x">Drupal-Biblio</source-app><ref-type>17</ref-type><contributors><authors><author><style face="normal" font="default" size="100%">Shashidhar, Mysore S.</style></author><author><style face="normal" font="default" size="100%">Krishnaswamy, Shobhana</style></author></authors></contributors><titles><title><style face="normal" font="default" size="100%"> Intermolecular acyl-transfer reactions in molecular crystals </style></title><secondary-title><style face="normal" font="default" size="100%">Accounts of Chemical Research</style></secondary-title></titles><dates><year><style  face="normal" font="default" size="100%">2019</style></year><pub-dates><date><style  face="normal" font="default" size="100%">FEB</style></date></pub-dates></dates><volume><style face="normal" font="default" size="100%">52</style></volume><pages><style face="normal" font="default" size="100%">437-446</style></pages><language><style face="normal" font="default" size="100%">eng</style></language><abstract><style face="normal" font="default" size="100%">&lt;p&gt;CONSPECTUS: It is far more difficult to recognize and predict &lt;span class=&quot;hitHilite&quot;&gt;the&lt;/span&gt; chemical &lt;span class=&quot;hitHilite&quot;&gt;reactions&lt;/span&gt; that &lt;span class=&quot;hitHilite&quot;&gt;a&lt;/span&gt; molecule &lt;span class=&quot;hitHilite&quot;&gt;of&lt;/span&gt; &lt;span class=&quot;hitHilite&quot;&gt;an&lt;/span&gt; &lt;span class=&quot;hitHilite&quot;&gt;organic&lt;/span&gt; &lt;span class=&quot;hitHilite&quot;&gt;compound&lt;/span&gt; can undergo &lt;span class=&quot;hitHilite&quot;&gt;in&lt;/span&gt; crystalline (solid) state &lt;span class=&quot;hitHilite&quot;&gt;as&lt;/span&gt; compared to &lt;span class=&quot;hitHilite&quot;&gt;the&lt;/span&gt; solution state (&lt;span class=&quot;hitHilite&quot;&gt;the&lt;/span&gt; &quot;&lt;span class=&quot;hitHilite&quot;&gt;organic&lt;/span&gt; functional group&quot; approach), since &lt;span class=&quot;hitHilite&quot;&gt;the&lt;/span&gt; published data on solid-state &lt;span class=&quot;hitHilite&quot;&gt;structure&lt;/span&gt; reactivity investigations and correlations are scant. &lt;span class=&quot;hitHilite&quot;&gt;The&lt;/span&gt; discovery &lt;span class=&quot;hitHilite&quot;&gt;of&lt;/span&gt; &lt;span class=&quot;hitHilite&quot;&gt;the&lt;/span&gt; first &lt;span class=&quot;hitHilite&quot;&gt;intermolecular&lt;/span&gt; &lt;span class=&quot;hitHilite&quot;&gt;acyl-transfer&lt;/span&gt; reaction &lt;span class=&quot;hitHilite&quot;&gt;in&lt;/span&gt; &lt;span class=&quot;hitHilite&quot;&gt;molecular&lt;/span&gt; &lt;span class=&quot;hitHilite&quot;&gt;crystals&lt;/span&gt; &lt;span class=&quot;hitHilite&quot;&gt;of&lt;/span&gt; racemic 2,4-di-O-benzoyl-myo-inositol-1,&lt;span class=&quot;hitHilite&quot;&gt;3&lt;/span&gt;,5-orthoformate (DiBz) during our attempts to develop methods &lt;span class=&quot;hitHilite&quot;&gt;for&lt;/span&gt; &lt;span class=&quot;hitHilite&quot;&gt;the&lt;/span&gt; &lt;span class=&quot;hitHilite&quot;&gt;synthesis&lt;/span&gt; &lt;span class=&quot;hitHilite&quot;&gt;of&lt;/span&gt; phosphoinositols, motivated us to find other &lt;span class=&quot;hitHilite&quot;&gt;molecular&lt;/span&gt; &lt;span class=&quot;hitHilite&quot;&gt;crystals&lt;/span&gt; capable &lt;span class=&quot;hitHilite&quot;&gt;of&lt;/span&gt; supporting similar &lt;span class=&quot;hitHilite&quot;&gt;reactions&lt;/span&gt;. Small changes to &lt;span class=&quot;hitHilite&quot;&gt;the&lt;/span&gt; &lt;span class=&quot;hitHilite&quot;&gt;molecular&lt;/span&gt; &lt;span class=&quot;hitHilite&quot;&gt;structure&lt;/span&gt; &lt;span class=&quot;hitHilite&quot;&gt;of&lt;/span&gt; DiBz yielded analogues &lt;span class=&quot;hitHilite&quot;&gt;with&lt;/span&gt; different crystal structures which showed varying degrees &lt;span class=&quot;hitHilite&quot;&gt;of&lt;/span&gt; &lt;span class=&quot;hitHilite&quot;&gt;acyl transfer&lt;/span&gt; reactivity &lt;span class=&quot;hitHilite&quot;&gt;as&lt;/span&gt; compared to &lt;span class=&quot;hitHilite&quot;&gt;the&lt;/span&gt; &lt;span class=&quot;hitHilite&quot;&gt;crystals&lt;/span&gt; &lt;span class=&quot;hitHilite&quot;&gt;of&lt;/span&gt; DiBz. &lt;span class=&quot;hitHilite&quot;&gt;A&lt;/span&gt; systematic investigation &lt;span class=&quot;hitHilite&quot;&gt;of&lt;/span&gt; &lt;span class=&quot;hitHilite&quot;&gt;the&lt;/span&gt; structures, polymorphism, cocrystallization behavior, and &lt;span class=&quot;hitHilite&quot;&gt;the&lt;/span&gt; corresponding reactivity &lt;span class=&quot;hitHilite&quot;&gt;of&lt;/span&gt; these &lt;span class=&quot;hitHilite&quot;&gt;crystals&lt;/span&gt; allowed us to correlate &lt;span class=&quot;hitHilite&quot;&gt;the&lt;/span&gt; &lt;span class=&quot;hitHilite&quot;&gt;acyl transfer&lt;/span&gt; reactivity &lt;span class=&quot;hitHilite&quot;&gt;with&lt;/span&gt; their structures and inherent noncovalent interactions and provided crucial insights into &lt;span class=&quot;hitHilite&quot;&gt;the&lt;/span&gt; mechanism &lt;span class=&quot;hitHilite&quot;&gt;of&lt;/span&gt; these &lt;span class=&quot;hitHilite&quot;&gt;reactions&lt;/span&gt;. Polymorphs or cocrystals &lt;span class=&quot;hitHilite&quot;&gt;of&lt;/span&gt; these compounds exhibited dissimilar reactivities due to differences &lt;span class=&quot;hitHilite&quot;&gt;in&lt;/span&gt; &lt;span class=&quot;hitHilite&quot;&gt;the&lt;/span&gt; &lt;span class=&quot;hitHilite&quot;&gt;molecular&lt;/span&gt; conformation and/or arrangements &lt;span class=&quot;hitHilite&quot;&gt;in&lt;/span&gt; their &lt;span class=&quot;hitHilite&quot;&gt;crystals&lt;/span&gt;. &lt;span class=&quot;hitHilite&quot;&gt;The&lt;/span&gt; knowledge &lt;span class=&quot;hitHilite&quot;&gt;of&lt;/span&gt; phase transitions between polymorphs enabled us to control and tune &lt;span class=&quot;hitHilite&quot;&gt;the&lt;/span&gt; reactivity &lt;span class=&quot;hitHilite&quot;&gt;in&lt;/span&gt; &lt;span class=&quot;hitHilite&quot;&gt;the&lt;/span&gt; solid state. We could identify three conditions essential &lt;span class=&quot;hitHilite&quot;&gt;for&lt;/span&gt; &lt;span class=&quot;hitHilite&quot;&gt;intermolecular&lt;/span&gt; &lt;span class=&quot;hitHilite&quot;&gt;acyl transfer&lt;/span&gt;: (i) favorable relative geometry &lt;span class=&quot;hitHilite&quot;&gt;of&lt;/span&gt; &lt;span class=&quot;hitHilite&quot;&gt;the&lt;/span&gt; electrophile (ester C=O) and &lt;span class=&quot;hitHilite&quot;&gt;the&lt;/span&gt; nucleophile (OH), (ii) noncovalent interactions (C-H center dot center dot center dot pi) between &lt;span class=&quot;hitHilite&quot;&gt;the&lt;/span&gt; reacting molecules which help &lt;span class=&quot;hitHilite&quot;&gt;in&lt;/span&gt; maintaining &lt;span class=&quot;hitHilite&quot;&gt;the&lt;/span&gt; facility and specificity &lt;span class=&quot;hitHilite&quot;&gt;of&lt;/span&gt; &lt;span class=&quot;hitHilite&quot;&gt;the&lt;/span&gt; reaction, and (&lt;span class=&quot;hitHilite&quot;&gt;iii&lt;/span&gt;) &lt;span class=&quot;hitHilite&quot;&gt;the&lt;/span&gt; presence &lt;span class=&quot;hitHilite&quot;&gt;of&lt;/span&gt; channels &lt;span class=&quot;hitHilite&quot;&gt;in&lt;/span&gt; &lt;span class=&quot;hitHilite&quot;&gt;the&lt;/span&gt; lattice which enable propagation &lt;span class=&quot;hitHilite&quot;&gt;of&lt;/span&gt; &lt;span class=&quot;hitHilite&quot;&gt;the&lt;/span&gt; reaction &lt;span class=&quot;hitHilite&quot;&gt;in&lt;/span&gt; &lt;span class=&quot;hitHilite&quot;&gt;the&lt;/span&gt; crystal. Based on this supramolecular &lt;span class=&quot;hitHilite&quot;&gt;structure&lt;/span&gt; reactivity correlation, we identified other &lt;span class=&quot;hitHilite&quot;&gt;molecular&lt;/span&gt; &lt;span class=&quot;hitHilite&quot;&gt;crystals&lt;/span&gt; (composed &lt;span class=&quot;hitHilite&quot;&gt;of&lt;/span&gt; molecules &lt;span class=&quot;hitHilite&quot;&gt;of&lt;/span&gt; widely different &lt;span class=&quot;hitHilite&quot;&gt;molecular&lt;/span&gt; &lt;span class=&quot;hitHilite&quot;&gt;structure&lt;/span&gt; &lt;span class=&quot;hitHilite&quot;&gt;from&lt;/span&gt; that &lt;span class=&quot;hitHilite&quot;&gt;of&lt;/span&gt; DiBz) &lt;span class=&quot;hitHilite&quot;&gt;from&lt;/span&gt; &lt;span class=&quot;hitHilite&quot;&gt;a&lt;/span&gt; survey &lt;span class=&quot;hitHilite&quot;&gt;of&lt;/span&gt; &lt;span class=&quot;hitHilite&quot;&gt;the&lt;/span&gt; Cambridge Structural Database (CSD) and predicted their &lt;span class=&quot;hitHilite&quot;&gt;acyl transfer&lt;/span&gt; reactivity. &lt;span class=&quot;hitHilite&quot;&gt;The&lt;/span&gt; increased availability &lt;span class=&quot;hitHilite&quot;&gt;of&lt;/span&gt; user-friendly modern X-ray diffractometers and related software has enabled &lt;span class=&quot;hitHilite&quot;&gt;efficient&lt;/span&gt; collection, &lt;span class=&quot;hitHilite&quot;&gt;analysis&lt;/span&gt; and interpretation &lt;span class=&quot;hitHilite&quot;&gt;of&lt;/span&gt; single crystal X-ray diffraction data, essential &lt;span class=&quot;hitHilite&quot;&gt;for&lt;/span&gt; such studies. &lt;span class=&quot;hitHilite&quot;&gt;The&lt;/span&gt; rapidly expanding CSD facilitates &lt;span class=&quot;hitHilite&quot;&gt;the&lt;/span&gt; identification &lt;span class=&quot;hitHilite&quot;&gt;of&lt;/span&gt; &lt;span class=&quot;hitHilite&quot;&gt;crystals&lt;/span&gt; &lt;span class=&quot;hitHilite&quot;&gt;with&lt;/span&gt; similar structures and reactivity patterns. &lt;span class=&quot;hitHilite&quot;&gt;In&lt;/span&gt; &lt;span class=&quot;hitHilite&quot;&gt;a&lt;/span&gt; wider perspective, facile &lt;span class=&quot;hitHilite&quot;&gt;reactions&lt;/span&gt; &lt;span class=&quot;hitHilite&quot;&gt;in&lt;/span&gt; &lt;span class=&quot;hitHilite&quot;&gt;molecular&lt;/span&gt; &lt;span class=&quot;hitHilite&quot;&gt;crystals&lt;/span&gt; fascinate chemists because these &lt;span class=&quot;hitHilite&quot;&gt;reactions&lt;/span&gt; usually exhibit unique product selectivity and have &lt;span class=&quot;hitHilite&quot;&gt;the&lt;/span&gt; potential to be developed &lt;span class=&quot;hitHilite&quot;&gt;as&lt;/span&gt; sustainable green &lt;span class=&quot;hitHilite&quot;&gt;reactions&lt;/span&gt;. We are optimistic that similar approaches &lt;span class=&quot;hitHilite&quot;&gt;for&lt;/span&gt; &lt;span class=&quot;hitHilite&quot;&gt;the&lt;/span&gt; &lt;span class=&quot;hitHilite&quot;&gt;study&lt;/span&gt; &lt;span class=&quot;hitHilite&quot;&gt;of&lt;/span&gt; other group &lt;span class=&quot;hitHilite&quot;&gt;transfer&lt;/span&gt; &lt;span class=&quot;hitHilite&quot;&gt;reactions&lt;/span&gt; &lt;span class=&quot;hitHilite&quot;&gt;in&lt;/span&gt; &lt;span class=&quot;hitHilite&quot;&gt;molecular&lt;/span&gt; &lt;span class=&quot;hitHilite&quot;&gt;crystals&lt;/span&gt; would augment and widen &lt;span class=&quot;hitHilite&quot;&gt;the&lt;/span&gt; scope &lt;span class=&quot;hitHilite&quot;&gt;of&lt;/span&gt; chemical &lt;span class=&quot;hitHilite&quot;&gt;reactions&lt;/span&gt; &lt;span class=&quot;hitHilite&quot;&gt;in&lt;/span&gt; &lt;span class=&quot;hitHilite&quot;&gt;molecular&lt;/span&gt; &lt;span class=&quot;hitHilite&quot;&gt;crystals&lt;/span&gt; &lt;span class=&quot;hitHilite&quot;&gt;in&lt;/span&gt; particular and &lt;span class=&quot;hitHilite&quot;&gt;the&lt;/span&gt; solid state &lt;span class=&quot;hitHilite&quot;&gt;in&lt;/span&gt; general. &lt;span class=&quot;hitHilite&quot;&gt;The&lt;/span&gt; ability to predict &lt;span class=&quot;hitHilite&quot;&gt;the&lt;/span&gt; reactivity &lt;span class=&quot;hitHilite&quot;&gt;of&lt;/span&gt; molecules &lt;span class=&quot;hitHilite&quot;&gt;in&lt;/span&gt; their &lt;span class=&quot;hitHilite&quot;&gt;crystals&lt;/span&gt; could find applications &lt;span class=&quot;hitHilite&quot;&gt;in&lt;/span&gt; &lt;span class=&quot;hitHilite&quot;&gt;organic&lt;/span&gt; &lt;span class=&quot;hitHilite&quot;&gt;synthesis&lt;/span&gt;, material science and industry. Realization &lt;span class=&quot;hitHilite&quot;&gt;of&lt;/span&gt; &lt;span class=&quot;hitHilite&quot;&gt;the&lt;/span&gt; involvement &lt;span class=&quot;hitHilite&quot;&gt;of&lt;/span&gt; inositol derivatives &lt;span class=&quot;hitHilite&quot;&gt;in&lt;/span&gt; cellular processes led to &lt;span class=&quot;hitHilite&quot;&gt;the&lt;/span&gt; discovery &lt;span class=&quot;hitHilite&quot;&gt;of&lt;/span&gt; cellular signal transduction mechanisms. &lt;span class=&quot;hitHilite&quot;&gt;The&lt;/span&gt; ability &lt;span class=&quot;hitHilite&quot;&gt;of&lt;/span&gt; inositol derivatives to support facile &lt;span class=&quot;hitHilite&quot;&gt;acyl-transfer&lt;/span&gt; &lt;span class=&quot;hitHilite&quot;&gt;reactions&lt;/span&gt; &lt;span class=&quot;hitHilite&quot;&gt;in&lt;/span&gt; &lt;span class=&quot;hitHilite&quot;&gt;the&lt;/span&gt; crystalline state might well have opened &lt;span class=&quot;hitHilite&quot;&gt;a&lt;/span&gt; new avenue &lt;span class=&quot;hitHilite&quot;&gt;for&lt;/span&gt; research &lt;span class=&quot;hitHilite&quot;&gt;in&lt;/span&gt; &lt;span class=&quot;hitHilite&quot;&gt;the&lt;/span&gt; area &lt;span class=&quot;hitHilite&quot;&gt;of&lt;/span&gt; &lt;span class=&quot;hitHilite&quot;&gt;organic&lt;/span&gt; solid-state &lt;span class=&quot;hitHilite&quot;&gt;reactions&lt;/span&gt;.&lt;/p&gt;
</style></abstract><issue><style face="normal" font="default" size="100%">2</style></issue><work-type><style face="normal" font="default" size="100%">Article</style></work-type><custom3><style face="normal" font="default" size="100%">&lt;p&gt;Foreign&lt;/p&gt;
</style></custom3><custom4><style face="normal" font="default" size="100%">&lt;p&gt;&lt;span class=&quot;LrzXr kno-fv&quot;&gt;21.661&lt;/span&gt;&lt;/p&gt;
</style></custom4></record><record><source-app name="Biblio" version="7.x">Drupal-Biblio</source-app><ref-type>17</ref-type><contributors><authors><author><style face="normal" font="default" size="100%">Bahadur, Vir</style></author><author><style face="normal" font="default" size="100%">Gonnade, Rajesh G.</style></author><author><style face="normal" font="default" size="100%">Tamboli, I. Majid</style></author><author><style face="normal" font="default" size="100%">Krishnaswamy, Shobhana</style></author><author><style face="normal" font="default" size="100%">Shashidhar, Mysore S.</style></author></authors></contributors><titles><title><style face="normal" font="default" size="100%">Construction of two-component chemically reactive supramolecular assemblies-acyl migration reactions in cocrystals of napthalene-2,3-diol and its diesters</style></title><secondary-title><style face="normal" font="default" size="100%">ChemPlusChem</style></secondary-title></titles><keywords><keyword><style  face="normal" font="default" size="100%">Acylation</style></keyword><keyword><style  face="normal" font="default" size="100%">domino reactions</style></keyword><keyword><style  face="normal" font="default" size="100%">intermolecular interactions</style></keyword><keyword><style  face="normal" font="default" size="100%">reaction in cocrystal</style></keyword><keyword><style  face="normal" font="default" size="100%">solid-state reactions</style></keyword><keyword><style  face="normal" font="default" size="100%">X-ray diffraction</style></keyword></keywords><dates><year><style  face="normal" font="default" size="100%">2021</style></year><pub-dates><date><style  face="normal" font="default" size="100%">AUG</style></date></pub-dates></dates><volume><style face="normal" font="default" size="100%">86</style></volume><pages><style face="normal" font="default" size="100%">1128-1134</style></pages><language><style face="normal" font="default" size="100%">eng</style></language><abstract><style face="normal" font="default" size="100%">Reactions in solids are of contemporary interest due to applications in pharmaceutical industries to environmental sustainability. Although several reactive crystals that support chemical reactions have been identified and characterized, the same cannot be said about reactive cocrystals. Earlier we correlated the facile acyl group transfer reactions in crystals with supramolecular parameters obtained from the crystal structures. The structure-reactivity correlation revealed the requirement of proper juxtaposition of electrophile (C=O) and the nucleophile (OH) with distance (similar to 3.2 angstrom) and angle (similar to 90 degrees) along the chain structure. The current article describes the preparation of cocrystals that are capable of supporting intermolecular acyl group transfer reactions in a group of structurally similar molecules. The cocrystals of naphthalene 2,3-diol and its corresponding diesters showed a facile solid state acyl transfer reaction, which has been well correlated with their crystal structures.</style></abstract><issue><style face="normal" font="default" size="100%">8</style></issue><work-type><style face="normal" font="default" size="100%">Article</style></work-type><custom3><style face="normal" font="default" size="100%">Foreign</style></custom3><custom4><style face="normal" font="default" size="100%">2.863</style></custom4></record></records></xml>