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5-(β-D-吡喃葡萄糖基硫代)-(4-甲基苯基)-1,3,4-噻二唑-2-胺的晶体结构

Crystal structure of 5-(β-d-gluco-pyran-osyl-thio)--(4-methyl-phen-yl)-1,3,4-thia-diazol-2-amine.

作者信息

Abu-Zaied Mamdouh A, Hebishy Ali M S, Elgemeie Galal H, Salama Hagar T, Jones Peter G

机构信息

Green Chemistry Department, National Research Centre, Dokki, Giza, Egypt.

Chemistry Department, Faculty of Science, Helwan University, Cairo, Egypt.

出版信息

Acta Crystallogr E Crystallogr Commun. 2023 Jun 20;79(Pt 7):652-656. doi: 10.1107/S2056989023005248. eCollection 2023 Jun 1.

DOI:10.1107/S2056989023005248
PMID:37601574
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC10439424/
Abstract

In the structure of the title compound, CHNOS, the bond lengths at the linking sulfur atom are significantly different [1.7473 (17) and 1.811 (2) Å], and the angle at the exocyclic nitro-gen atom is wide at 128.45 (18)°. The inter-planar angle between the tolyl and thia-diazole rings is 9.2 (1)°. The complex hydrogen-bonding pattern, involving five donors and five acceptors, can be broken down into a one-dimensional ribbon parallel to the axis, involving hydrogen bonds of the sugar residues only, and a two-dimensional layer structure parallel to the plane, based on the N-H⋯O and O-H⋯N hydrogen bonds.

摘要

在标题化合物CHNOS的结构中，连接硫原子处的键长存在显著差异[1.7473 (17) 和1.811 (2) Å]，环外氮原子处的角度较宽，为128.45 (18)°。甲苯基环和噻二唑环之间的面间角为9.2 (1)°。复杂的氢键模式涉及五个供体和五个受体，可分解为平行于轴的一维带状结构，仅涉及糖残基的氢键，以及基于N-H⋯O和O-H⋯N氢键的平行于平面的二维层状结构。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a5b3/10439424/0b6462b850ac/e-79-00652-fig4.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a5b3/10439424/1ad934a7a6a3/e-79-00652-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a5b3/10439424/4fad7aabe0b9/e-79-00652-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a5b3/10439424/3f0c2d607637/e-79-00652-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a5b3/10439424/0b6462b850ac/e-79-00652-fig4.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a5b3/10439424/1ad934a7a6a3/e-79-00652-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a5b3/10439424/4fad7aabe0b9/e-79-00652-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a5b3/10439424/3f0c2d607637/e-79-00652-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a5b3/10439424/0b6462b850ac/e-79-00652-fig4.jpg

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