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N′-[(E)-(3-Fluoropyridin-2-yl)methylidene]benzohydrazide monohydrate
The title compound, C(13)H(10)FN(3)O·H(2)O, exists in the E conformation with respect to the azomethane C=N double bond. The molecule is close to planar with a maximum deviation of 0.286 (2) Å. The pyridine ring is essentially coplanar with the central C(= O)N(2)C unit [dihedral angle = 2.02 (3)°]...
Autores principales: | , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2012
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3435726/ https://www.ncbi.nlm.nih.gov/pubmed/22969597 http://dx.doi.org/10.1107/S1600536812035179 |
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author | Nair, Yamuna Sithambaresan, M. Kurup, M. R. Prathapachandra |
author_facet | Nair, Yamuna Sithambaresan, M. Kurup, M. R. Prathapachandra |
author_sort | Nair, Yamuna |
collection | PubMed |
description | The title compound, C(13)H(10)FN(3)O·H(2)O, exists in the E conformation with respect to the azomethane C=N double bond. The molecule is close to planar with a maximum deviation of 0.286 (2) Å. The pyridine ring is essentially coplanar with the central C(= O)N(2)C unit [dihedral angle = 2.02 (3)°] and the phenyl ring exhibits a dihedral angle of 14.41 (10)° with respect to the central unit. The crystal structure features O—H⋯N, N—H⋯O and O—H⋯O hydrogen-bond interactions between the solvent water and the benzohydrazide molecules, as well as C—H⋯O hydrogen bonds and C—F⋯π [3.0833 (18) Å] interactions. |
format | Online Article Text |
id | pubmed-3435726 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2012 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-34357262012-09-11 N′-[(E)-(3-Fluoropyridin-2-yl)methylidene]benzohydrazide monohydrate Nair, Yamuna Sithambaresan, M. Kurup, M. R. Prathapachandra Acta Crystallogr Sect E Struct Rep Online Organic Papers The title compound, C(13)H(10)FN(3)O·H(2)O, exists in the E conformation with respect to the azomethane C=N double bond. The molecule is close to planar with a maximum deviation of 0.286 (2) Å. The pyridine ring is essentially coplanar with the central C(= O)N(2)C unit [dihedral angle = 2.02 (3)°] and the phenyl ring exhibits a dihedral angle of 14.41 (10)° with respect to the central unit. The crystal structure features O—H⋯N, N—H⋯O and O—H⋯O hydrogen-bond interactions between the solvent water and the benzohydrazide molecules, as well as C—H⋯O hydrogen bonds and C—F⋯π [3.0833 (18) Å] interactions. International Union of Crystallography 2012-08-15 /pmc/articles/PMC3435726/ /pubmed/22969597 http://dx.doi.org/10.1107/S1600536812035179 Text en © Nair et al. 2012 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited. |
spellingShingle | Organic Papers Nair, Yamuna Sithambaresan, M. Kurup, M. R. Prathapachandra N′-[(E)-(3-Fluoropyridin-2-yl)methylidene]benzohydrazide monohydrate |
title |
N′-[(E)-(3-Fluoropyridin-2-yl)methylidene]benzohydrazide monohydrate |
title_full |
N′-[(E)-(3-Fluoropyridin-2-yl)methylidene]benzohydrazide monohydrate |
title_fullStr |
N′-[(E)-(3-Fluoropyridin-2-yl)methylidene]benzohydrazide monohydrate |
title_full_unstemmed |
N′-[(E)-(3-Fluoropyridin-2-yl)methylidene]benzohydrazide monohydrate |
title_short |
N′-[(E)-(3-Fluoropyridin-2-yl)methylidene]benzohydrazide monohydrate |
title_sort | n′-[(e)-(3-fluoropyridin-2-yl)methylidene]benzohydrazide monohydrate |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3435726/ https://www.ncbi.nlm.nih.gov/pubmed/22969597 http://dx.doi.org/10.1107/S1600536812035179 |
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