The first crystal structure of an alkaline metal salt of thioglucose: potassium 1-thio-β-D-glucoside monohydrate.

Abstract

In the crystal structure of the title hydrated salt, poly[(μ(2)-aqua)(μ(4)-1-sulfido-β-D-glucoside)potassium], [K(C(6)H(11)O(5)S)(H(2)O)](n) or K(+)·C(6)H(11)O(5)S(-)·H(2)O, 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, θ = 8.233° and ϕ = 353.773°) indicate a slight distortion of the pyranose ring.

DOI: 10.1107/S0108270112047014

Cite this paper

@article{Yoshinari2012TheFC, title={The first crystal structure of an alkaline metal salt of thioglucose: potassium 1-thio-β-D-glucoside monohydrate.}, author={Nobuto Yoshinari and Naoki Kitani and Takumi Konno}, journal={Acta crystallographica. Section C, Crystal structure communications}, year={2012}, volume={68 Pt 12}, pages={m363-6} }