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3-溴-7-甲氧基-2-苯基-咪唑并[2,1-b][1,3]苯并噻唑

3-Bromo-7-meth-oxy-2-phenyl-imidazo[2,1-b][1,3]benzothia-zole.

作者信息

Bunev Alexander S, Sukhonosova Elena V, Syrazhetdinova Dinara R, Statsyuk Vladimir E, Ostapenko Gennady I, Khrustalev Victor N

机构信息

Department of Chemistry and Chemical Technology, Togliatti State University, 14 Belorusskaya Street, Togliatti 445667, Russian Federation.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2013 Mar 13;69(Pt 4):o531. doi: 10.1107/S1600536813006582. Print 2013 Apr 1.

DOI:10.1107/S1600536813006582
PMID:23634072
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3629585/
Abstract

In the title mol-ecule, C16H11BrN2OS, the central imidazo[2,1-b][1,3]benzothia-zole tricycle is essentially planar (r.m.s. deviation = 0.021 Å). The terminal phenyl ring is twisted at 36.18 (5)° from the mean plane of the tricycle. In the crystal, pairs of eak C-H⋯O hydrogen bonds link mol-ecules into centrosymmetric dimers, which are further packed into stacks along the a axis.

摘要

在标题分子C₁₆H₁₁BrN₂OS中，中心咪唑并[2,1 - b][1,3]苯并噻唑三环基本呈平面状（均方根偏差 = 0.021 Å）。末端苯环相对于三环的平均平面扭转了36.18 (5)°。在晶体中，弱的C - H⋯O氢键对将分子连接成中心对称的二聚体，这些二聚体进一步沿a轴堆积成层。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9842/3629585/f3cb14fd988c/e-69-0o531-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9842/3629585/13cd217c5d6c/e-69-0o531-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9842/3629585/1f42d28cc371/e-69-0o531-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9842/3629585/f3cb14fd988c/e-69-0o531-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9842/3629585/13cd217c5d6c/e-69-0o531-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9842/3629585/1f42d28cc371/e-69-0o531-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9842/3629585/f3cb14fd988c/e-69-0o531-fig3.jpg

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