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-14