The First Crystal Structure of an Alkaline Metal Salt of Thioglucose: Potassium 1-Thio-β-D-glucoside Monohydrate
The First Crystal Structure of an Alkaline Metal Salt of Thioglucose: Potassium 1-Thio-β-D-glucoside Monohydrate
复制标题
硫代葡萄糖碱金属盐的第一个晶体结构：1-硫代-β-D-葡萄糖苷一水合物钾
DOI：
10.1107/s0108270112047014
复制
发表时间：
2012
期刊：
影响因子：
--
通讯作者：
Nobuto Yoshinari
中科院分区：
文献类型：
--
作者：
山根健史;佐藤和信;杉崎研司;豊田和男;塩見大輔;吉澤真;田所誠;工位武治;Nobuto Yoshinari
在标题水合盐聚[（μ2-aqua）（μ4-1-sulfido-β-d-glucoside）potassium]，[K（C6 H11 O 5S）（H2O）]n或K+·C6 H11 O 5S −·H2O的晶体结构中，每个硫代葡萄糖苷阴离子通过其四个羟基中的三个与四个K+阳离子配位，形成三维聚合物结构。每个阴离子中带负电荷的硫醇盐基团不与K+阳离子形成有效的配位键，但与四个羟基形成分子间氢键，这似乎维持了聚合物结构。硫代葡萄糖苷配体的Cremer-Pople参数（Q = 0.575，θ = 8.233°和φ = 353.773°）表明吡喃糖环的轻微变形。
In the crystal structure of the title hydrated salt, poly[(μ2-aqua)(μ4-1-sulfido-β-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, θ = 8.233° and φ = 353.773°) indicate a slight distortion of the pyranose ring.