00513nas a2200169 4500008004100000022001400041245004900055210004900104260000800153300000800161490000700169653001500176653002400191653002700215100002000242856008100262 2014 eng d a2053-273300aPharmaceutical solids in crystal engineering0 aPharmaceutical solids in crystal engineering cMAY aC120 v7010acocrystals10acrystal engineering10aSupramolecular synthon1 aNangia, Ashwini uhttps://library.ncl.res.in/content/pharmaceutical-solids-crystal-engineering01819nas a2200265 4500008004100000022001400041245010100055210006900156260000800225300001200233490000600245520092600251653001901177653002401196653002001220653002101240653003201261653002201293653002101315653001701336100002301353700002801376700002001404856012901424 2017 eng d a2052-252500aMechanochemical synthesis of N-salicylideneaniline: thermosalient effect of polymorphic crystals0 aMechanochemical synthesis of Nsalicylideneaniline thermosalient  cMAY a243-2500 v43 a

Polymorphs of the dichloro derivative of N-salicylideneaniline exhibit mechanical responses such as jumping (Forms I and III) and exploding (Form II) in its three polymorphs. The molecules are connected via the amide N-H center dot center dot center dot O dimer synthon and C-Cl center dot center dot center dot O halogen bond in the three crystal structures. A fourth high-temperature Form IV was confirmed by variable-temperature single-crystal X-ray diffraction at 180 degrees C. The behaviour of jumping exhibited by the polymorphic crystals of Forms I and III is due to the layered sheet morphology and the transmission of thermal stress in a single direction, compared with the corrugated sheet structure of Form II such that heat dissipation is more isotropic causing blasting. The role of weak C-Cl center dot center dot center dot O interactions in the thermal response of molecular crystals is discussed.

10acrystal design10acrystal engineering10aHalogen bonding10ahydrogen bonding10aintermolecular interactions10amaterials science10amechanochemistry10apolymorphism1 aMittapalli, Sudhir1 aPerumalla, Sravanakumar1 aNangia, Ashwini uhttps://library.ncl.res.in/content/mechanochemical-synthesis-n-salicylideneaniline-thermosalient-effect-polymorphic-crystals01899nas a2200217 4500008004100000022001400041245009200055210006900147260000800216300001200224490000600236520118300242653001501425653002401440653001701464653002801481653001501509100001801524700002001542856011901562 2019 eng d a2052-252500aSupramolecular synthon hierarchy in sulfonamide cocrystals with syn-amides and N-oxides0 aSupramolecular synthon hierarchy in sulfonamide cocrystals with  cJUL a751-7600 v63 a

Sulfonamide drugs are well known antibacterial and antimicrobial molecules for pharmaceutical development. Building a library of suitable supramolecular synthons for the sulfonamide functional group and understanding their crystal structures with partner coformer molecules continues to be a challenge in crystal engineering. Although a few sulfonamide cocrystals with amides and N-oxides have been reported, the body of work on sulfonamide synthons is limited compared with those that have carboxylic acids and carboxamides. To address this structural gap, the present work is primarily focused on sulfonamide-lactam and sulfonamide-syn-amide synthons with drugs such as celecoxib, hydrochlorothiazide and furosemide. Furthermore, the electrostatic potential of previously reported cocrystals has been recalculated to show that the negative electrostatic potential on the lactam and syn-amide O atom is higher compared with the charge on carboxamide and pyridine N-oxide O atoms. The potential of sulfonamide molecules to form cocrystals with syn-amides and lactams are evaluated in terms of the electrostatic potential energy for the designed supramolecular synthons.

10acocrystals10acrystal engineering10asulfonamides10asupramolecular synthons10asyn-amides1 aBolla, Geetha1 aNangia, Ashwini uhttps://library.ncl.res.in/content/supramolecular-synthon-hierarchy-sulfonamide-cocrystals-syn-amides-and-n-oxides