Suppr超能文献

3,6-二-O-苄基-2-脱氧-N-邻苯二甲酰亚胺基-1-硫代-β-D-吡喃葡萄糖苷乙酯

Ethyl 3,6-di-O-benzyl-2-de-oxy-N-phthalimido-1-thio-β-d-glucopyran-oside.

作者信息

Hamark Christoffer, Landström Jens, Eriksson Lars, Widmalm Göran

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2010 Nov 20;66(Pt 12):o3250-1. doi: 10.1107/S1600536810047069.

Abstract

In the title compound, C(30)H(31)NO(6)S, the plane of the N-phthalimido group is nearly orthogonal to the least-squares plane of the sugar ring (defined by atoms C2, C3, C5 and O5 using standard glucose nomenclature), making a dihedral angle of 72.8 (1)°. The thio-ethyl group has the exo-anomeric conformation. The hy-droxy group forms an inter-molecular hydrogen bond to the O atom in the sugar ring, generating [100] chains. There are four close π-π contacts with centroid-centroid distances less than 4.0 Å, all with dihedral angles between the inter-acting π systems of only ≃ 8°, supporting energetically favourable stacking inter-actions.

摘要

在标题化合物C(30)H(31)NO(6)S中,N-邻苯二甲酰亚胺基团的平面与糖环的最小二乘平面(使用标准葡萄糖命名法由原子C2、C3、C5和O5定义)几乎正交,二面角为72.8 (1)°。硫代乙基具有外式端基异构体构象。羟基与糖环中的O原子形成分子间氢键,生成[100]链。存在四个质心-质心距离小于4.0 Å的紧密π-π接触,所有相互作用的π体系之间的二面角仅约为8°,支持能量上有利的堆积相互作用。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5670/3011472/ae72ef5cbda5/e-66-o3250-fig1.jpg

文献AI研究员

20分钟写一篇综述,助力文献阅读效率提升50倍。

立即体验

用中文搜PubMed

大模型驱动的PubMed中文搜索引擎

马上搜索

文档翻译

学术文献翻译模型,支持多种主流文档格式。

立即体验