10568nas a2200205 4500008004100000245015900041210006900200260000800269490000700277520974600284100002110030700002410051700002410075700002310099700003310122700003210155700002410187700002310211856012810234 2020 eng d00aSynthesis, crystal structure and Hirshfeld surface analysis of the hydrated form of N’, N-(1,4-phenylenebis(methanylylidene) di(iso-nicotinic hydrazide)0 aSynthesis crystal structure and Hirshfeld surface analysis of th cAUG0 v283 a

The title compound, C20H16N6O2 was synthesized by reflux with isonicotinic hydrazide and terephthaldehyde in ethanol solvent with the acidic condition. The single-crystal X-ray structure determination of the title compound, N, N-(1,4-phenylene bis (methanylylidene) di(iso-nicotinic hydrazide), reveals that the molecule crystallizes in center of symmetry with water molecules (Dihydrated form, C20H16N6O2.2H2O) through N-H∙∙∙O and C-H∙∙∙O hydrogen bondings. Further, the crystal structure is stabilized by O-H∙∙∙O and weak C-H∙∙∙N hydrogen bondings with the formation of infinite chain and dimer. Further, surface analysis and fingerprint plot reveal that the significant hydrogen bonding such as H•••O (15.9%) and N•••H (11.4%) interactions play the most crucial role for its molecular packing.

1 aIngle, Kapil, S.1 aMohurle, Smital, A.1 aBairagi, Keshab, M.1 aShaikh, Tabrez, R.1 aVenugopala, Katharigatta, N.1 aChandrashekharappa, Sandeep1 aGonnade, Rajesh, G.1 aNayak, Susanta, K. uhttps://library.ncl.res.in/content/synthesis-crystal-structure-and-hirshfeld-surface-analysis-hydrated-form-n%E2%80%99-n-1400844nas a2200241 4500008004100000245010300041210006900144260000900213300001400222490000700236653002900243653001400272653002500286653001500311100002100326700002400347700002300371700002000394700001900414700002000433700002100453856012800474 2024 eng d00aStructural insights into ketanserin salts with aliphatic acids and their physiochemical properties0 aStructural insights into ketanserin salts with aliphatic acids a cNOV  a6260-62680 v2610aPHARMACEUTICAL COCRYSTAL10aSEROTONIN10aSHYDROCHLOROTHIAZIDE10asolubility1 aKenguva, Gowtham1 aRout, Smruti, Rekha1 aShaikh, Tabrez, R.1 aBaidya, Debjani1 aShelke, Nikita1 aSanphui, Palash1 aDandela, Rambabu uhttps://library.ncl.res.in/content/structural-insights-ketanserin-salts-aliphatic-acids-and-their-physiochemical-properties02497nas a2200289 4500008004100000022001400041245014200055210006900197260000800266300001100274490000900285520150000294653002401794653001801818653003501836653001501871100002101886700002401907700001601931700002001947700002801967700002301995700002002018700001902038700002102057856012902078 2025 eng d a0022-286000aSynthesis, characterization and theoretical investigations of the newly developed molecular salts of an anti-psychotic drug (Penfluridol)0 aSynthesis characterization and theoretical investigations of the cAPR a1413920 v13283 a

Penfluridol (PEN) is a clinically relevant antipsychotic medication used to treat schizophrenia; nevertheless, its bioavailability is limited due to its poor solubility. To address this issues, new molecular salts of PEN are being produced utilizing an array of GRAS (Generally Recognised AS Safe) salt formers such as oxalic acid (OXA), malonic acid (MAL), maleic acid (MAE), and an artificial sweetener (saccharin (SAC)). A variety of solid-state analytical techniques were used to identify and characterize the resulting molecular salts. Moreover, PEN and its novel salts' solubility were assessed using high-performance liquid chromatography (HPLC) and the data revealed that among all the adducts PEN.MAL exhibited a significantly higher solubility which is similar to 15 times more than the parent drug PEN. Furthermore, in order to enhance comprehension of the hydrogen bonding interaction, the Hirshfeld surface (HS), frontier molecular orbital (HOMO-LUMO), non-covalent interaction plots (NCIs), and electrostatic potential maps (ESP) investigations are discussed. Additionally, the stability of the synthesized adducts was evaluated over a 2-week period under accelerated humidity (90 % +/- 5 % RH, 40 +/- 1 degrees C) and it was observed that all the adducts demonstrated excellent stability. In light of the aforementioned observations, we expect that the latest discovery will be a superior alternative for refining and strengthening the pharmacological features of PEN.

10aAnti-psychotic drug10aHydrogen bond10aLiquid-assisted grinding (LAG)10asolubility1 aKenguva, Gowtham1 aRout, Smruti, Rekha1 aKar, Ananya1 aGiri, Lopamudra1 aMahapatra, Sanat, Kumar1 aShaikh, Tabrez, R.1 aBaidya, Debjani1 aShelke, Nikita1 aDandela, Rambabu uhttps://library.ncl.res.in/content/synthesis-characterization-and-theoretical-investigations-newly-developed-molecular-salts