4-Methyl­pyridinium 2-carb­oxy-4,5-dichloro­benzoate monohydrate

In the structure of the 1:1 proton-transfer compound of 4-methyl­pyridine (γ-picoline) with 4,5-dichloro­phthalic acid, C(6)H(8)N(+)·C(8)H(3)Cl(2)O(4) (−)·H(2)O, determined at 200 K, the 4,5-dichloro­phthalate anions are bridged by the water mol­ecule through O—H⋯O(carbox­yl) hydrogen bonds, giving...

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Detalles Bibliográficos
Autores principales: Smith, Graham, Wermuth, Urs D.
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2010
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2979372/
https://www.ncbi.nlm.nih.gov/pubmed/21579358
http://dx.doi.org/10.1107/S1600536810015503
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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 structure of the 1:1 proton-transfer compound of 4-methyl­pyridine (γ-picoline) with 4,5-dichloro­phthalic acid, C(6)H(8)N(+)·C(8)H(3)Cl(2)O(4) (−)·H(2)O, determined at 200 K, the 4,5-dichloro­phthalate anions are bridged by the water mol­ecule through O—H⋯O(carbox­yl) hydrogen bonds, giving zigzag chains which extend along the c-axis direction. The 4-methyl­pyridinium cations are linked to the chains through single N—H⋯O(water) hydrogen bonds and occupy the voids within the chains in the one-dimensional structure. The anions have the common ‘planar’ conformation with a short intra­molecular O—H⋯O(carbox­yl) hydrogen bond.
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spelling pubmed-29793722010-12-30 4-Methyl­pyridinium 2-carb­oxy-4,5-dichloro­benzoate monohydrate Smith, Graham Wermuth, Urs D. Acta Crystallogr Sect E Struct Rep Online Organic Papers In the structure of the 1:1 proton-transfer compound of 4-methyl­pyridine (γ-picoline) with 4,5-dichloro­phthalic acid, C(6)H(8)N(+)·C(8)H(3)Cl(2)O(4) (−)·H(2)O, determined at 200 K, the 4,5-dichloro­phthalate anions are bridged by the water mol­ecule through O—H⋯O(carbox­yl) hydrogen bonds, giving zigzag chains which extend along the c-axis direction. The 4-methyl­pyridinium cations are linked to the chains through single N—H⋯O(water) hydrogen bonds and occupy the voids within the chains in the one-dimensional structure. The anions have the common ‘planar’ conformation with a short intra­molecular O—H⋯O(carbox­yl) hydrogen bond. International Union of Crystallography 2010-05-08 /pmc/articles/PMC2979372/ /pubmed/21579358 http://dx.doi.org/10.1107/S1600536810015503 Text en © Smith and Wermuth 2010 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-Methyl­pyridinium 2-carb­oxy-4,5-dichloro­benzoate monohydrate
title 4-Methyl­pyridinium 2-carb­oxy-4,5-dichloro­benzoate monohydrate
title_full 4-Methyl­pyridinium 2-carb­oxy-4,5-dichloro­benzoate monohydrate
title_fullStr 4-Methyl­pyridinium 2-carb­oxy-4,5-dichloro­benzoate monohydrate
title_full_unstemmed 4-Methyl­pyridinium 2-carb­oxy-4,5-dichloro­benzoate monohydrate
title_short 4-Methyl­pyridinium 2-carb­oxy-4,5-dichloro­benzoate monohydrate
title_sort 4-methyl­pyridinium 2-carb­oxy-4,5-dichloro­benzoate monohydrate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2979372/
https://www.ncbi.nlm.nih.gov/pubmed/21579358
http://dx.doi.org/10.1107/S1600536810015503
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AT wermuthursd 4methylpyridinium2carboxy45dichlorobenzoatemonohydrate

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