Crystal structure, DFT and Hirshfeld surface analysis of (E)-N′-[(1-chloro-3,4-di­hydro­naph­thal­en-2-yl)methyl­idene]benzohydrazide monohydrate

In the title compound, C(18)H(15)ClN(2)O·H(2)O, a benzohydrazide derivative, the dihedral angle between the mean plane of the di­hydro­naphthalene ring system and the phenyl ring is 17.1 (2)°. In the crystal, O—H⋯O, N—H⋯O and C—H⋯O hydrogen bonds link the benzohydrazide and water mol­ecules, forming...

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Detalles Bibliográficos
Autores principales: Arjun, H. A., Anil Kumar, G. N., Elancheran, R., Kabilan, S.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2020
Materias:
Research Communications
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7001828/
https://www.ncbi.nlm.nih.gov/pubmed/32071734
http://dx.doi.org/10.1107/S2056989019017183
Descripción
Sumario:In the title compound, C(18)H(15)ClN(2)O·H(2)O, a benzohydrazide derivative, the dihedral angle between the mean plane of the di­hydro­naphthalene ring system and the phenyl ring is 17.1 (2)°. In the crystal, O—H⋯O, N—H⋯O and C—H⋯O hydrogen bonds link the benzohydrazide and water mol­ecules, forming a layer parallel to the bc plane. Hirshfeld surface analysis and two-dimensional fingerprint plots indicate that the most important contributions to the crystal packing are from H⋯H (45.7%) and H⋯C/C⋯H (20.2%) contacts.

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