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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...
Autores principales: | , |
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Formato: | Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2010
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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 |
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]. |
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