title: 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.
authors.affiliation: Osaka University, Toyonaka, Japan. nobuto@chem.sci.osaka-u.ac.jp
authors.forename: Nobuto
authors.initials: N
authors.lastname: Yoshinari
authors.forename: Naoki
authors.initials: N
authors.lastname: Kitani
authors.forename: Takumi
authors.initials: T
authors.lastname: Konno
mesh_terms: D018360:Crystallography, X-Ray; D005960:Glucosides / Q000737:chemistry*; D006860:Hydrogen Bonding; D008670:Metals / Q000737:chemistry*; D015394:Molecular Structure; D011188:Potassium / Q000737:chemistry*; D012492:Salts / Q000737:chemistry*; D054330:Thiosugars / Q000737:chemistry*
chemical_list: D005960:Glucosides; D008670:Metals; D012492:Salts; D054330:Thiosugars; D011188:Potassium