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

Nobuto, Yoshinari; Naoki, Kitani; Konno, Takumi

Acta Crystallographica Section C, 2012, 68(12), m363-m366

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Identifier to cite or link to this item: https://hdl.handle.net/11094/54383

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Title
The first crystal structure of an alkaline metal salt of thioglucose : potassium 1-thio-β-D-glucoside monohydrate
Creator
NRID
1000010583338 1000010583338
ORCID
0000-0003-2457-0967 0000-0003-2457-0967
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Scopus Author ID
14009212400 14009212400
CreatorName
Nobuto, Yoshinari
CreatorName
Naoki, Kitani
NRID
1000050201497 1000050201497
CreatorName
Konno, Takumi
Abstract
In the crystal structure of the title hydrated salt, poly[(μ_2-aqua)(μ_4-1-sulfido-β-D-glucoside)potassium], [K(C_6H_<11>O_5S)(H_2O)]_n or K^+·C_6H_<11>O_5S^−·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, θ = 8.233° and ϕ = 353.773°) indicate a slight distortion of the pyranose ring.
Publisher
International Union of Crystallography
Source Title
Acta Crystallographica Section C
Volume (Issue)
68(12)
Page
m363-m366
Date of Issued
2012-12
Language
English
Handle URL
https://hdl.handle.net/11094/54383
PISSN
01082701
Relation.references
URI
http://onlinelibrary.wiley.com/doi/10.1107/S0108270112047014/abstract
Relation.isIdenticalTo
DOI (Publisher Version)
https://doi.org/10.1107/S0108270112047014
Access Rights
open access
oaire:version
Version of Record
Category
学術雑誌論文 Journal Article