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5-溴-3-环己基亚磺酰基-2,7-二甲基-1-苯并呋喃

5-Bromo-3-cyclo-hexyl-sulfinyl-2,7-dimethyl-1-benzofuran.

作者信息

Choi Hong Dae, Seo Pil Ja, Son Byeng Wha, Lee Uk

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2011 May 1;67(Pt 5):o1039. doi: 10.1107/S1600536811011354. Epub 2011 Apr 7.

DOI:10.1107/S1600536811011354
PMID:21754366
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3089368/
Abstract

In the title compound, C(16)H(19)BrO(2)S, the cyclo-hexyl ring adopts a chair conformation. In the crystal, mol-ecules are linked by a Br⋯Br [3.5994 (5) Å] contact and a C-H⋯π inter-action involving the phenyl ring of the benzofuran. The crystal structure also exhibits a slipped π-π inter-action between the furan rings of neighbouring mol-ecules [centroid-centroid distance = 3.767 (1) Å and inter-planar distance of 3.452 (1) Å with a slippage of 1.508 Å].

摘要

在标题化合物C(16)H(19)BrO(2)S中，环己基环呈椅式构象。在晶体中，分子通过Br⋯Br [3.5994 (5) Å]接触以及涉及苯并呋喃苯环的C-H⋯π相互作用相连。晶体结构还显示相邻分子的呋喃环之间存在滑移π-π相互作用[质心-质心距离 = 3.767 (1) Å，平面间距离为3.452 (1) Å，滑移为1.508 Å]。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/cf2d/3089368/9bc1229d304d/e-67-o1039-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/cf2d/3089368/63c1deddc352/e-67-o1039-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/cf2d/3089368/9bc1229d304d/e-67-o1039-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/cf2d/3089368/63c1deddc352/e-67-o1039-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/cf2d/3089368/9bc1229d304d/e-67-o1039-fig2.jpg

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