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N′-[(E)-5-Bromo-2-hydroxy-3-methoxybenzylidene]-4-methoxybenzohydrazide monohydrate
In the title compound, C(16)H(15)BrN(2)O(4)·H(2)O, the hydrazide molecule is nearly planar, with a largest deviation from the mean plane through the non-H atoms of 0.106 (4) Å and a dihedral angle between the benzene rings of 1.98 (16)°. This molecule adopts an E conformation about the C=N bond an...
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/PMC3470184/ https://www.ncbi.nlm.nih.gov/pubmed/23125628 http://dx.doi.org/10.1107/S1600536812033806 |
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author | Reshma, P. R. Sithambaresan, M. Kurup, M. R. Prathapachandra |
author_facet | Reshma, P. R. Sithambaresan, M. Kurup, M. R. Prathapachandra |
author_sort | Reshma, P. R. |
collection | PubMed |
description | In the title compound, C(16)H(15)BrN(2)O(4)·H(2)O, the hydrazide molecule is nearly planar, with a largest deviation from the mean plane through the non-H atoms of 0.106 (4) Å and a dihedral angle between the benzene rings of 1.98 (16)°. This molecule adopts an E conformation about the C=N bond and an intramolecular O—H⋯N hydrogen bond increases the rigidity. In the crystal, some molecules of the title hydrazide are replaced by molecules of its 6-bromo isomer, and the Br atom from this admixture molecule was refined to give a partial occupancy of 0.0523 (13). The hydrazide and water molecules are linked through classical N—H⋯O and O—H⋯O hydrogen bonds, forming layers parallel to (110). C—H⋯π interactions are also present. |
format | Online Article Text |
id | pubmed-3470184 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2012 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-34701842012-11-02 N′-[(E)-5-Bromo-2-hydroxy-3-methoxybenzylidene]-4-methoxybenzohydrazide monohydrate Reshma, P. R. Sithambaresan, M. Kurup, M. R. Prathapachandra Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(16)H(15)BrN(2)O(4)·H(2)O, the hydrazide molecule is nearly planar, with a largest deviation from the mean plane through the non-H atoms of 0.106 (4) Å and a dihedral angle between the benzene rings of 1.98 (16)°. This molecule adopts an E conformation about the C=N bond and an intramolecular O—H⋯N hydrogen bond increases the rigidity. In the crystal, some molecules of the title hydrazide are replaced by molecules of its 6-bromo isomer, and the Br atom from this admixture molecule was refined to give a partial occupancy of 0.0523 (13). The hydrazide and water molecules are linked through classical N—H⋯O and O—H⋯O hydrogen bonds, forming layers parallel to (110). C—H⋯π interactions are also present. International Union of Crystallography 2012-09-01 /pmc/articles/PMC3470184/ /pubmed/23125628 http://dx.doi.org/10.1107/S1600536812033806 Text en © Reshma 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 Reshma, P. R. Sithambaresan, M. Kurup, M. R. Prathapachandra N′-[(E)-5-Bromo-2-hydroxy-3-methoxybenzylidene]-4-methoxybenzohydrazide monohydrate |
title |
N′-[(E)-5-Bromo-2-hydroxy-3-methoxybenzylidene]-4-methoxybenzohydrazide monohydrate |
title_full |
N′-[(E)-5-Bromo-2-hydroxy-3-methoxybenzylidene]-4-methoxybenzohydrazide monohydrate |
title_fullStr |
N′-[(E)-5-Bromo-2-hydroxy-3-methoxybenzylidene]-4-methoxybenzohydrazide monohydrate |
title_full_unstemmed |
N′-[(E)-5-Bromo-2-hydroxy-3-methoxybenzylidene]-4-methoxybenzohydrazide monohydrate |
title_short |
N′-[(E)-5-Bromo-2-hydroxy-3-methoxybenzylidene]-4-methoxybenzohydrazide monohydrate |
title_sort | n′-[(e)-5-bromo-2-hydroxy-3-methoxybenzylidene]-4-methoxybenzohydrazide monohydrate |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3470184/ https://www.ncbi.nlm.nih.gov/pubmed/23125628 http://dx.doi.org/10.1107/S1600536812033806 |
work_keys_str_mv | AT reshmapr ne5bromo2hydroxy3methoxybenzylidene4methoxybenzohydrazidemonohydrate AT sithambaresanm ne5bromo2hydroxy3methoxybenzylidene4methoxybenzohydrazidemonohydrate AT kurupmrprathapachandra ne5bromo2hydroxy3methoxybenzylidene4methoxybenzohydrazidemonohydrate |