The first crystal structure of an alkaline metal salt of thioglucose: potassium 1-thio-[beta]-D-glucoside monohydrate

In the crystal structure of the title hydrated salt, poly[(μ2-aqua)(μ4-1-sulfido-[beta]-D-glucoside)potassium], [K(C6H11O5S)(H2O)]n or K+·C6H11O5S-·H2O, each thioglucoside anion coordinates to four K+ cations through three of its four hydroxy groups, forming a three-dimensional polymeric structure. The negatively charged thiolate group in each anion does not form an efficient coordination bond with a K+ cation, but forms intermolecular hydrogen bonds with four hydroxy groups, which appears to sustain the polymeric structure. The Cremer-Pople parameters for the thioglucoside ligand (Q = 0.575, [theta] = 8.233° and = 353.773°) indicate a slight distortion of the pyranose ring. [PUBLICATION ABSTRACT]