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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...

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Autores principales: Sivakumar, P. K., Kumar, M. Krishna, Chakkaravarthi, G., Kumar, R. Mohan, Kanagadurai, R.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2013
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.
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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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