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Crystal structure and Hirshfeld surface analysis of (E)-1-[(4,7-di-methyl-quinolin-2-yl)methyl-idene]semicarbazide dihydrate.

ABSTRACT: In the title compound, C13H14N4O·2H2O, the organic mol-ecule is almost planar. In the crystal, the mol-ecules are linked by O-H?O, N-H?O and O-H?N hydrogen bonds, forming a two-dimensional network parallel to (10). Hirshfeld surface analysis and two-dimensional fingerprint plots indicate that the most important contributions to the crystal packing are from H?H (55.4%), H?O/O?H (14.8%), H?C/C?H (11.7%) and H?N/N?H (8.3%) inter-actions.

SUBMITTER: Aydemir E

PROVIDER: S-EPMC6218908 | biostudies-other | 2018 Nov

REPOSITORIES: biostudies-other

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Crystal structure and Hirshfeld surface analysis of (E)-1-[(4,7-di-methyl-quinolin-2-yl)methyl-idene]semicarbazide dihydrate.

Aydemir Ercan E Kansiz Sevgi S Dege Necmi N Genc Hasan H Gaidai Snizhana V SV

Acta crystallographica. Section E, Crystallographic communications 20181031 Pt 11

In the title compound, C13H14N4O·2H2O, the organic mol-ecule is almost planar. In the crystal, the mol-ecules are linked by O-H⋯O, N-H⋯O and O-H⋯N hydrogen bonds, forming a two-dimensional network parallel to (10). Hirshfeld surface analysis and two-dimensional fingerprint plots indicate that the most important contributions to the crystal packing are from H⋯H (55.4%), H⋯O/O⋯H (14.8%), H⋯C/C⋯H (11.7%) and H⋯N/N⋯H (8.3%) inter-actions. ...[more]

PMID: 30443404

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