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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
Descripción
Sumario: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].