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苯基 2-氨基-N,6-O-二苄基-2,3-N,O-羰基-2-脱氧-1-硫代-β-D-吡喃葡萄糖苷

Phenyl 2-amino-N,6-O-dibenzyl-2,3-N,O-carbonyl-2-de-oxy-1-thio-β-d-glucopyran-oside.

作者信息

Manabe Shino, Ishii Kazuyuki, Hashizume Daisuke, Ito Yukishige

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2008 Sep 6;64(Pt 10):o1868. doi: 10.1107/S1600536808027189.

DOI:10.1107/S1600536808027189
PMID:21201084
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2959351/
Abstract

In the crystal structure of the title compound, C(27)H(27)NO(5)S, the pyran-ose ring adopts a (4)C(1) chair conformation with puckering parameters Q = 0.639 (2) Å, θ = 174.11 (18) and ϕ = 256 (2)°. The presence of the 2,3-trans-oxazolidinone fixes the conformation of the pyran-ose ring. The phenyl group attached to the S atom and the benzyl group bonding to the N atom are each disordered over two positions with site occupancies of 0.624 (3):0.376 (3) and 0.526 (3):0.474 (3), respectively. An inter-molecular O-H⋯O hydrogen bond is observed.

摘要

在标题化合物C(27)H(27)NO(5)S的晶体结构中，吡喃糖环呈(4)C(1)椅式构象，褶皱参数Q = 0.639 (2) Å，θ = 174.11 (18)，ϕ = 256 (2)°。2,3-反式恶唑烷酮的存在固定了吡喃糖环的构象。与S原子相连的苯基和与N原子相连的苄基各自在两个位置上无序，占位分别为0.624 (3):0.376 (3)和0.526 (3):0.474 (3)。观察到分子间存在O-H⋯O氢键。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/8ea2/2959351/3bfbf2b2a937/e-64-o1868-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/8ea2/2959351/3bfbf2b2a937/e-64-o1868-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/8ea2/2959351/3bfbf2b2a937/e-64-o1868-fig1.jpg

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