1-（2,3-二-O-乙酰基-4-氯-4-脱氧-6-O-甲苯磺酰基-β-D-吡喃半乳糖基）丙-2-酮甲醇0.25溶剂合物

1-(2,3-Di-O-acetyl-4-chloro-4-de-oxy-6-O-tosyl-β-d-galactopyranos-yl)propan-2-one methanol 0.25-solvate.

作者信息

Yan Lin, Liu Feng-Wu, Liu Hong-Min

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2008 Jul 19;64(Pt 8):o1558. doi: 10.1107/S1600536808022253.

DOI:10.1107/S1600536808022253

PMID:21203261

原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2962180/

Abstract

The asymmetric unit of the title solvate, C(20)H(25)ClO(9)S·0.25CH(3)OH, contains one galactopyranosyl derivative and one-quarter of a methanol solvent mol-ecule. The galactopyran-ose ring is in the usual (4)C(1) conformation, and the anomeric center of the sugar has a β configuration. The value of θ (3.44°) and the range of torsion angles [or 53.1 (5)-63.0 (5)°] reflect a slight distortion of the (4)C(1) pyran-ose ring. A minor orientational disorder affects a carbonyl group, which was modeled with two sites for the O atom having occupancies of 0.79 (5) and 0.21 (5). The crystal studied exhibited inversion twinning.

摘要

标题溶剂化物C(20)H(25)ClO(9)S·0.25CH(3)OH的不对称单元包含一个吡喃半乳糖基衍生物和四分之一个甲醇溶剂分子。吡喃半乳糖环呈常见的(4)C(1)构象，糖的异头中心具有β构型。θ值(3.44°)和扭转角范围[或53.1 (5)-63.0 (5)°]反映了(4)C(1)吡喃糖环的轻微扭曲。一种较小的取向无序影响一个羰基，该羰基的O原子用占据率分别为0.79 (5)和0.21 (5)的两个位置进行建模。所研究的晶体表现出倒转孪晶。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/8015/2962180/39de6e141867/e-64-o1558-fig1.jpg

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