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

oleh: Xiao-Juan Wang, Yun-Long Feng

Format: Article
Diterbitkan: International Union of Crystallography 2010-06-01

Deskripsi

The title compound, C8H7NO4S·H2O, 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].