Crystal structure and Hirshfeld surface analysis of (E)-1-[(4,7-dimethylquinolin-2-yl)methylidene]semicarbazide dihydrate

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Aydemir E., Kansiz S., DEGE N., Genç H., Gaidai S.

ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, vol.74, pp.1674-1682, 2018 (ESCI)

• Publication Type: Article / Article
• Volume: 74
• Publication Date: 2018
• Doi Number: 10.1107/s2056989018014925
• Journal Name: ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS
• Journal Indexes: Emerging Sources Citation Index (ESCI), Scopus
• Page Numbers: pp.1674-1682
• Keywords: crystal structure, semicarbazone, Hirshfeld surface, THIOSEMICARBAZONE, SEMICARBAZONES
• Ondokuz Mayıs University Affiliated: Yes

Abstract

In the title compound, C13H14N4O center dot 2H(2)O, the organic molecule is almost planar. In the crystal, the molecules are linked by O-H center dot center dot center dot O, N-H center dot center dot center dot O and O-H center dot center dot center dot N hydrogen bonds, forming a two-dimensional network parallel to (10 (1) over bar). Hirshfeld surface analysis and two-dimensional fingerprint plots indicate that the most important contributions to the crystal packing are from H center dot center dot center dot H (55.4%), H center dot center dot center dot O/O center dot center dot center dot H (14.8%), H center dot center dot center dot C/C center dot center dot center dot H (11.7%) and H center dot center dot center dot N/N center dot center dot center dot H (8.3%) interactions.