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2-(Carboxy­methyl­sulfan­yl)pyridine-3-carboxylic acid monohydrate

The title compound, C(8)H(7)NO(4)S·H(2)O, was obtained by reaction of 2-mercaptopyridine-3-carboxylic acid with chloro­acetic acid. In the mol­ecular structure, the dihedral angle between the two least-squares planes defined by the pyridine ring and the carb­oxy group is 8.32 (9)°. The carboxy­methy...

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Detalles Bibliográficos
Autores principales: Wang, Xiao-Juan, Feng, Yun-Long
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2010
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2979580/
https://www.ncbi.nlm.nih.gov/pubmed/21579395
http://dx.doi.org/10.1107/S1600536810016120
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author Wang, Xiao-Juan
Feng, Yun-Long
author_facet Wang, Xiao-Juan
Feng, Yun-Long
author_sort Wang, Xiao-Juan
collection PubMed
description The title compound, C(8)H(7)NO(4)S·H(2)O, was obtained by reaction of 2-mercaptopyridine-3-carboxylic acid with chloro­acetic acid. In the mol­ecular structure, the dihedral angle between the two least-squares planes defined by the pyridine ring and the carb­oxy group is 8.32 (9)°. The carboxy­methyl­sulfanyl group makes a torsion angle of 82.64 (12)° with the pyridine ring. An intra­molecular O—H⋯N hydrogen bond between the acidic function of the carboxy­methyl­sulfanyl group and the pyridine N atom stabilizes the conformation, whereas inter­molecular O—H⋯O hydrogen bonding with the uncoordinated water mol­ecules is responsible for packing of the structure, leading to chains propagating in [001].
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spelling pubmed-29795802010-12-30 2-(Carboxy­methyl­sulfan­yl)pyridine-3-carboxylic acid monohydrate Wang, Xiao-Juan Feng, Yun-Long Acta Crystallogr Sect E Struct Rep Online Organic Papers The title compound, C(8)H(7)NO(4)S·H(2)O, was obtained by reaction of 2-mercaptopyridine-3-carboxylic acid with chloro­acetic acid. In the mol­ecular structure, the dihedral angle between the two least-squares planes defined by the pyridine ring and the carb­oxy group is 8.32 (9)°. The carboxy­methyl­sulfanyl group makes a torsion angle of 82.64 (12)° with the pyridine ring. An intra­molecular O—H⋯N hydrogen bond between the acidic function of the carboxy­methyl­sulfanyl group and the pyridine N atom stabilizes the conformation, whereas inter­molecular O—H⋯O hydrogen bonding with the uncoordinated water mol­ecules is responsible for packing of the structure, leading to chains propagating in [001]. International Union of Crystallography 2010-05-08 /pmc/articles/PMC2979580/ /pubmed/21579395 http://dx.doi.org/10.1107/S1600536810016120 Text en © Wang and Feng 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
Wang, Xiao-Juan
Feng, Yun-Long
2-(Carboxy­methyl­sulfan­yl)pyridine-3-carboxylic acid monohydrate
title 2-(Carboxy­methyl­sulfan­yl)pyridine-3-carboxylic acid monohydrate
title_full 2-(Carboxy­methyl­sulfan­yl)pyridine-3-carboxylic acid monohydrate
title_fullStr 2-(Carboxy­methyl­sulfan­yl)pyridine-3-carboxylic acid monohydrate
title_full_unstemmed 2-(Carboxy­methyl­sulfan­yl)pyridine-3-carboxylic acid monohydrate
title_short 2-(Carboxy­methyl­sulfan­yl)pyridine-3-carboxylic acid monohydrate
title_sort 2-(carboxy­methyl­sulfan­yl)pyridine-3-carboxylic acid monohydrate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2979580/
https://www.ncbi.nlm.nih.gov/pubmed/21579395
http://dx.doi.org/10.1107/S1600536810016120
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