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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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
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author Arjun, H. A.
Anil Kumar, G. N.
Elancheran, R.
Kabilan, S.
author_facet Arjun, H. A.
Anil Kumar, G. N.
Elancheran, R.
Kabilan, S.
author_sort Arjun, H. A.
collection PubMed
description 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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spelling pubmed-70018282020-02-18 Crystal structure, DFT and Hirshfeld surface analysis of (E)-N′-[(1-chloro-3,4-di­hydro­naph­thal­en-2-yl)methyl­idene]benzohydrazide monohydrate Arjun, H. A. Anil Kumar, G. N. Elancheran, R. Kabilan, S. Acta Crystallogr E Crystallogr Commun Research Communications 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. International Union of Crystallography 2020-01-03 /pmc/articles/PMC7001828/ /pubmed/32071734 http://dx.doi.org/10.1107/S2056989019017183 Text en © Arjun et al. 2020 http://creativecommons.org/licenses/by/4.0/ This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.http://creativecommons.org/licenses/by/4.0/
spellingShingle Research Communications
Arjun, H. A.
Anil Kumar, G. N.
Elancheran, R.
Kabilan, S.
Crystal structure, DFT and Hirshfeld surface analysis of (E)-N′-[(1-chloro-3,4-di­hydro­naph­thal­en-2-yl)methyl­idene]benzohydrazide monohydrate
title Crystal structure, DFT and Hirshfeld surface analysis of (E)-N′-[(1-chloro-3,4-di­hydro­naph­thal­en-2-yl)methyl­idene]benzohydrazide monohydrate
title_full Crystal structure, DFT and Hirshfeld surface analysis of (E)-N′-[(1-chloro-3,4-di­hydro­naph­thal­en-2-yl)methyl­idene]benzohydrazide monohydrate
title_fullStr Crystal structure, DFT and Hirshfeld surface analysis of (E)-N′-[(1-chloro-3,4-di­hydro­naph­thal­en-2-yl)methyl­idene]benzohydrazide monohydrate
title_full_unstemmed Crystal structure, DFT and Hirshfeld surface analysis of (E)-N′-[(1-chloro-3,4-di­hydro­naph­thal­en-2-yl)methyl­idene]benzohydrazide monohydrate
title_short Crystal structure, DFT and Hirshfeld surface analysis of (E)-N′-[(1-chloro-3,4-di­hydro­naph­thal­en-2-yl)methyl­idene]benzohydrazide monohydrate
title_sort crystal structure, dft and hirshfeld surface analysis of (e)-n′-[(1-chloro-3,4-di­hydro­naph­thal­en-2-yl)methyl­idene]benzohydrazide monohydrate
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7001828/
https://www.ncbi.nlm.nih.gov/pubmed/32071734
http://dx.doi.org/10.1107/S2056989019017183
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