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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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Formato: | Texto |
Lenguaje: | English |
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International Union of Crystallography
2010
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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]. |
format | Text |
id | pubmed-2979580 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2010 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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 |
work_keys_str_mv | AT wangxiaojuan 2carboxymethylsulfanylpyridine3carboxylicacidmonohydrate AT fengyunlong 2carboxymethylsulfanylpyridine3carboxylicacidmonohydrate |