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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...

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Autores principales: Sravya, S., Sruthy, S., Aiswarya, N., Sithambaresan, M., Kurup, M. R. Prathapachandra
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2015
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.
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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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