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Crystal structure of (E)-N′-(5-bromo-2-hydroxybenzylidene)nicotinohydrazide monohydrate
In the title compound, C(13)H(10)BrN(3)O(2)·H(2)O, the conformation about the azomethine double bond is E. The molecule exists in the amido form with a C=O bond length of 1.229 (2) Å. There is an intramolecular O—H⋯N hydrogen bond forming an S(6) ring motif. The whole molecule is almost planar, w...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2015
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4518959/ https://www.ncbi.nlm.nih.gov/pubmed/26279854 http://dx.doi.org/10.1107/S2056989015009627 |
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author | Sravya, S. Sruthy, S. Aiswarya, N. Sithambaresan, M. Kurup, M. R. Prathapachandra |
author_facet | Sravya, S. Sruthy, S. Aiswarya, N. Sithambaresan, M. Kurup, M. R. Prathapachandra |
author_sort | Sravya, S. |
collection | PubMed |
description | In the title compound, C(13)H(10)BrN(3)O(2)·H(2)O, the conformation about the azomethine double bond is E. The molecule exists in the amido form with a C=O bond length of 1.229 (2) Å. There is an intramolecular O—H⋯N hydrogen bond forming an S(6) ring motif. The whole molecule is almost planar, with an r.m.s. deviation of 0.021 Å for all non-H atoms, and the dihedral angle between the planes of the pyridine and benzene rings is 0.74 (12)°. In the crystal, the water molecule of crystallization links the organic molecules via Ow—H⋯O, Ow—H⋯N and N—H⋯Ow hydrogen bonds and short C—H⋯Ow contacts, forming sheets lying parallel to (100). Within the sheets there is a weak π–π interaction involving the pyridine and benzene rings [centroid-to-centroid distance = 3.8473 (15) Å]. The sheets are linked via C—H⋯Br interactions, forming a three-dimensional network. |
format | Online Article Text |
id | pubmed-4518959 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2015 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-45189592015-08-14 Crystal structure of (E)-N′-(5-bromo-2-hydroxybenzylidene)nicotinohydrazide monohydrate Sravya, S. Sruthy, S. Aiswarya, N. Sithambaresan, M. Kurup, M. R. Prathapachandra Acta Crystallogr E Crystallogr Commun Research Communications In the title compound, C(13)H(10)BrN(3)O(2)·H(2)O, the conformation about the azomethine double bond is E. The molecule exists in the amido form with a C=O bond length of 1.229 (2) Å. There is an intramolecular O—H⋯N hydrogen bond forming an S(6) ring motif. The whole molecule is almost planar, with an r.m.s. deviation of 0.021 Å for all non-H atoms, and the dihedral angle between the planes of the pyridine and benzene rings is 0.74 (12)°. In the crystal, the water molecule of crystallization links the organic molecules via Ow—H⋯O, Ow—H⋯N and N—H⋯Ow hydrogen bonds and short C—H⋯Ow contacts, forming sheets lying parallel to (100). Within the sheets there is a weak π–π interaction involving the pyridine and benzene rings [centroid-to-centroid distance = 3.8473 (15) Å]. The sheets are linked via C—H⋯Br interactions, forming a three-dimensional network. International Union of Crystallography 2015-06-03 /pmc/articles/PMC4518959/ /pubmed/26279854 http://dx.doi.org/10.1107/S2056989015009627 Text en © Sravya et al. 2015 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 | Research Communications Sravya, S. Sruthy, S. Aiswarya, N. Sithambaresan, M. Kurup, M. R. Prathapachandra Crystal structure of (E)-N′-(5-bromo-2-hydroxybenzylidene)nicotinohydrazide monohydrate |
title | Crystal structure of (E)-N′-(5-bromo-2-hydroxybenzylidene)nicotinohydrazide monohydrate |
title_full | Crystal structure of (E)-N′-(5-bromo-2-hydroxybenzylidene)nicotinohydrazide monohydrate |
title_fullStr | Crystal structure of (E)-N′-(5-bromo-2-hydroxybenzylidene)nicotinohydrazide monohydrate |
title_full_unstemmed | Crystal structure of (E)-N′-(5-bromo-2-hydroxybenzylidene)nicotinohydrazide monohydrate |
title_short | Crystal structure of (E)-N′-(5-bromo-2-hydroxybenzylidene)nicotinohydrazide monohydrate |
title_sort | crystal structure of (e)-n′-(5-bromo-2-hydroxybenzylidene)nicotinohydrazide monohydrate |
topic | Research Communications |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4518959/ https://www.ncbi.nlm.nih.gov/pubmed/26279854 http://dx.doi.org/10.1107/S2056989015009627 |
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