3-(2-methyl-1,3-benzothiazol-3-ium-3-yl)propane-1-sulfonate monohydrate

Abstract

In the title hydrated zwitterion, C11H13NO 3S2·H2O, the N-C-C-C and C-C-C-S torsion angles in the side-chain are 171.06 (14) and 173.73 (12)°, respectively. In the crystal, inversion-related molecules are π-stacked with an interplanar separation of 3.3847 (2) Å. O-H⋯O hydrogen bonds link inversion-related molecules with a pair of water molecules to form R 42(8) rings. The closest S⋯S contact is 3.4051 (15) Å between inversion-related molecules.