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Crystal structure of (E)-4-hydroxy-N′-(3-hydroxybenzylidene)benzohydrazide monohydrate
In the title benzohydrazide hydrate, C(14)H(12)N(2)O(3)·H(2)O, the dihedral angle between the aromatic rings is 58.11 (6)° and the C=O and N—H groups adopt an anti orientation. The main twist in the molecule occurs about the C(=O)—C(ar) (ar = aromatic) bond, with an N—C(=O)—C(ar)—C(ar) torsion angl...
Autores principales: | , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2014
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4186143/ https://www.ncbi.nlm.nih.gov/pubmed/25309238 http://dx.doi.org/10.1107/S1600536814011908 |
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author | Harrison, William T. A. Low, John Nicolson Wardell, James L. |
author_facet | Harrison, William T. A. Low, John Nicolson Wardell, James L. |
author_sort | Harrison, William T. A. |
collection | PubMed |
description | In the title benzohydrazide hydrate, C(14)H(12)N(2)O(3)·H(2)O, the dihedral angle between the aromatic rings is 58.11 (6)° and the C=O and N—H groups adopt an anti orientation. The main twist in the molecule occurs about the C(=O)—C(ar) (ar = aromatic) bond, with an N—C(=O)—C(ar)—C(ar) torsion angle of −43.5 (2)°. In the crystal, the components are linked by N—H⋯O, O—H⋯N and O—H⋯O hydrogen bonds. These interactions generate [10-1] chains, with adjacent organic molecules linked by inversion symmetry generating either pairs of N—H⋯O links [R (2) (2)(16) loops] or pairs of O—H⋯O links [R (2) (2)(20) loops]. Pairs of water molecules are located in the R (2) (2)(20) loops and form their own O—H⋯O and O—H⋯N hydrogen bonds to adjacent organic molecules in the chain. Finally, an interchain O—H⋯O hydrogen-bond link from the 4-hydroxy group generates (010) sheets. |
format | Online Article Text |
id | pubmed-4186143 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2014 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-41861432014-10-12 Crystal structure of (E)-4-hydroxy-N′-(3-hydroxybenzylidene)benzohydrazide monohydrate Harrison, William T. A. Low, John Nicolson Wardell, James L. Acta Crystallogr Sect E Struct Rep Online Data Reports In the title benzohydrazide hydrate, C(14)H(12)N(2)O(3)·H(2)O, the dihedral angle between the aromatic rings is 58.11 (6)° and the C=O and N—H groups adopt an anti orientation. The main twist in the molecule occurs about the C(=O)—C(ar) (ar = aromatic) bond, with an N—C(=O)—C(ar)—C(ar) torsion angle of −43.5 (2)°. In the crystal, the components are linked by N—H⋯O, O—H⋯N and O—H⋯O hydrogen bonds. These interactions generate [10-1] chains, with adjacent organic molecules linked by inversion symmetry generating either pairs of N—H⋯O links [R (2) (2)(16) loops] or pairs of O—H⋯O links [R (2) (2)(20) loops]. Pairs of water molecules are located in the R (2) (2)(20) loops and form their own O—H⋯O and O—H⋯N hydrogen bonds to adjacent organic molecules in the chain. Finally, an interchain O—H⋯O hydrogen-bond link from the 4-hydroxy group generates (010) sheets. International Union of Crystallography 2014-08-01 /pmc/articles/PMC4186143/ /pubmed/25309238 http://dx.doi.org/10.1107/S1600536814011908 Text en © Harrison et al. 2014 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 | Data Reports Harrison, William T. A. Low, John Nicolson Wardell, James L. Crystal structure of (E)-4-hydroxy-N′-(3-hydroxybenzylidene)benzohydrazide monohydrate |
title | Crystal structure of (E)-4-hydroxy-N′-(3-hydroxybenzylidene)benzohydrazide monohydrate |
title_full | Crystal structure of (E)-4-hydroxy-N′-(3-hydroxybenzylidene)benzohydrazide monohydrate |
title_fullStr | Crystal structure of (E)-4-hydroxy-N′-(3-hydroxybenzylidene)benzohydrazide monohydrate |
title_full_unstemmed | Crystal structure of (E)-4-hydroxy-N′-(3-hydroxybenzylidene)benzohydrazide monohydrate |
title_short | Crystal structure of (E)-4-hydroxy-N′-(3-hydroxybenzylidene)benzohydrazide monohydrate |
title_sort | crystal structure of (e)-4-hydroxy-n′-(3-hydroxybenzylidene)benzohydrazide monohydrate |
topic | Data Reports |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4186143/ https://www.ncbi.nlm.nih.gov/pubmed/25309238 http://dx.doi.org/10.1107/S1600536814011908 |
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