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4-Nitroanilinium 3-carboxy-4-hydroxybenzenesulfonate monohydrate
In the title hydrated salt, C(6)H(7)N(2)O(2) (+)·C(7)H(5)O(6)S(−)·H(2)O, the benzene ring of the cation makes a dihedral angle of 1.32 (19)° with the attached nitro group. In the anion, an intramolecular O—H⋯O hydrogen bond with an S(6) ring motif is formed between the carboxyl and hydroxy groups...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2013
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3884284/ https://www.ncbi.nlm.nih.gov/pubmed/24454060 http://dx.doi.org/10.1107/S1600536813026779 |
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author | Sivakumar, P. K. Kumar, M. Krishna Chakkaravarthi, G. Kumar, R. Mohan Kanagadurai, R. |
author_facet | Sivakumar, P. K. Kumar, M. Krishna Chakkaravarthi, G. Kumar, R. Mohan Kanagadurai, R. |
author_sort | Sivakumar, P. K. |
collection | PubMed |
description | In the title hydrated salt, C(6)H(7)N(2)O(2) (+)·C(7)H(5)O(6)S(−)·H(2)O, the benzene ring of the cation makes a dihedral angle of 1.32 (19)° with the attached nitro group. In the anion, an intramolecular O—H⋯O hydrogen bond with an S(6) ring motif is formed between the carboxyl and hydroxy groups; the dihedral angle between the carboxyl group and the benzene ring is 8.76 (8)°. The crystal structure exhibits intermolecular N—H⋯O, O—H⋯O, C—H⋯O, and π–π [centroid–centroid distances = 3.6634 (9) and 3.7426 (9) Å] interactions to form a three-dimensional network. |
format | Online Article Text |
id | pubmed-3884284 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2013 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-38842842014-01-17 4-Nitroanilinium 3-carboxy-4-hydroxybenzenesulfonate monohydrate Sivakumar, P. K. Kumar, M. Krishna Chakkaravarthi, G. Kumar, R. Mohan Kanagadurai, R. Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title hydrated salt, C(6)H(7)N(2)O(2) (+)·C(7)H(5)O(6)S(−)·H(2)O, the benzene ring of the cation makes a dihedral angle of 1.32 (19)° with the attached nitro group. In the anion, an intramolecular O—H⋯O hydrogen bond with an S(6) ring motif is formed between the carboxyl and hydroxy groups; the dihedral angle between the carboxyl group and the benzene ring is 8.76 (8)°. The crystal structure exhibits intermolecular N—H⋯O, O—H⋯O, C—H⋯O, and π–π [centroid–centroid distances = 3.6634 (9) and 3.7426 (9) Å] interactions to form a three-dimensional network. International Union of Crystallography 2013-10-05 /pmc/articles/PMC3884284/ /pubmed/24454060 http://dx.doi.org/10.1107/S1600536813026779 Text en © Sivakumar et al. 2013 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 Sivakumar, P. K. Kumar, M. Krishna Chakkaravarthi, G. Kumar, R. Mohan Kanagadurai, R. 4-Nitroanilinium 3-carboxy-4-hydroxybenzenesulfonate monohydrate |
title | 4-Nitroanilinium 3-carboxy-4-hydroxybenzenesulfonate monohydrate |
title_full | 4-Nitroanilinium 3-carboxy-4-hydroxybenzenesulfonate monohydrate |
title_fullStr | 4-Nitroanilinium 3-carboxy-4-hydroxybenzenesulfonate monohydrate |
title_full_unstemmed | 4-Nitroanilinium 3-carboxy-4-hydroxybenzenesulfonate monohydrate |
title_short | 4-Nitroanilinium 3-carboxy-4-hydroxybenzenesulfonate monohydrate |
title_sort | 4-nitroanilinium 3-carboxy-4-hydroxybenzenesulfonate monohydrate |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3884284/ https://www.ncbi.nlm.nih.gov/pubmed/24454060 http://dx.doi.org/10.1107/S1600536813026779 |
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