4-(4-Nitro­benz­yl)pyridinium 3-carb­oxy-4-hy­droxy­benzene­sulfonate

In the title salt, C(12)H(11)N(2)O(2) (+)·C(7)H(5)O(6)S(−), the dihedral angle between the benzene and pyridine rings in the 4-(4-nitro­benz­yl)pyridinium cation is 82.7 (2)°. Within the anion there is an intramolecular hydroxy-O—H⋯O(carboxylic acid) bond. In the crystal, the cation forms a single N...

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Detalles Bibliográficos
Autores principales: Smith, Graham, Wermuth, Urs D.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2013
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3569266/
https://www.ncbi.nlm.nih.gov/pubmed/23424489
http://dx.doi.org/10.1107/S1600536813000093
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author Smith, Graham
Wermuth, Urs D.
author_facet Smith, Graham
Wermuth, Urs D.
author_sort Smith, Graham
collection PubMed
description In the title salt, C(12)H(11)N(2)O(2) (+)·C(7)H(5)O(6)S(−), the dihedral angle between the benzene and pyridine rings in the 4-(4-nitro­benz­yl)pyridinium cation is 82.7 (2)°. Within the anion there is an intramolecular hydroxy-O—H⋯O(carboxylic acid) bond. In the crystal, the cation forms a single N(+)—H⋯O(sulfonate) hydrogen bond with the anion. These cation–anion pairs inter­act through duplex anion carb­oxy­lic acid O—H⋯O(sulfonate) hydrogen bonds, giving a centrosymmetric cyclic association [graph set R (2) (2)(16)]. The crystals studied were non-merohedrally twinned.
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spelling pubmed-35692662013-02-19 4-(4-Nitro­benz­yl)pyridinium 3-carb­oxy-4-hy­droxy­benzene­sulfonate Smith, Graham Wermuth, Urs D. Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title salt, C(12)H(11)N(2)O(2) (+)·C(7)H(5)O(6)S(−), the dihedral angle between the benzene and pyridine rings in the 4-(4-nitro­benz­yl)pyridinium cation is 82.7 (2)°. Within the anion there is an intramolecular hydroxy-O—H⋯O(carboxylic acid) bond. In the crystal, the cation forms a single N(+)—H⋯O(sulfonate) hydrogen bond with the anion. These cation–anion pairs inter­act through duplex anion carb­oxy­lic acid O—H⋯O(sulfonate) hydrogen bonds, giving a centrosymmetric cyclic association [graph set R (2) (2)(16)]. The crystals studied were non-merohedrally twinned. International Union of Crystallography 2013-01-09 /pmc/articles/PMC3569266/ /pubmed/23424489 http://dx.doi.org/10.1107/S1600536813000093 Text en © Smith and Wermuth 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
Smith, Graham
Wermuth, Urs D.
4-(4-Nitro­benz­yl)pyridinium 3-carb­oxy-4-hy­droxy­benzene­sulfonate
title 4-(4-Nitro­benz­yl)pyridinium 3-carb­oxy-4-hy­droxy­benzene­sulfonate
title_full 4-(4-Nitro­benz­yl)pyridinium 3-carb­oxy-4-hy­droxy­benzene­sulfonate
title_fullStr 4-(4-Nitro­benz­yl)pyridinium 3-carb­oxy-4-hy­droxy­benzene­sulfonate
title_full_unstemmed 4-(4-Nitro­benz­yl)pyridinium 3-carb­oxy-4-hy­droxy­benzene­sulfonate
title_short 4-(4-Nitro­benz­yl)pyridinium 3-carb­oxy-4-hy­droxy­benzene­sulfonate
title_sort 4-(4-nitro­benz­yl)pyridinium 3-carb­oxy-4-hy­droxy­benzene­sulfonate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3569266/
https://www.ncbi.nlm.nih.gov/pubmed/23424489
http://dx.doi.org/10.1107/S1600536813000093
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AT wermuthursd 44nitrobenzylpyridinium3carboxy4hydroxybenzenesulfonate

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