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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...

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Autores principales: Reshma, P. R., Sithambaresan, M., Kurup, M. R. Prathapachandra
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2012
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.
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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
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AT kurupmrprathapachandra ne5bromo2hydroxy3methoxybenzylidene4methoxybenzohydrazidemonohydrate