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5-环己基-3-(4-氟苯基磺酰基)-2-甲基-1-苯并呋喃

5-Cyclo-hexyl-3-(4-fluoro-phenyl-sulfon-yl)-2-methyl-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 Apr 1;67(Pt 4):o767. doi: 10.1107/S1600536811006593. Epub 2011 Mar 2.

DOI:10.1107/S1600536811006593
PMID:21754061
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3099782/
Abstract

In the title compound, C(21)H(21)FO(3)S, the cyclo-hexyl ring adopts a chair conformation. The 4-fluoro-phenyl ring makes a dihedral angle of 77.71 (4)° with the mean plane of the benzofuran fragment. In the crystal, mol-ecules are linked through inter-molecular C-H⋯O hydrogen bonds and aromatic π-π inter-actions between the furan rings of neighbouring mol-ecules [centroid-centroid distance = 3.578 (2) Å].

摘要

在标题化合物C₂₁H₂₁FO₃S中，环己基环呈椅式构象。4-氟苯基环与苯并呋喃片段的平均平面形成77.71 (4)°的二面角。在晶体中，分子通过分子间C-H⋯O氢键以及相邻分子呋喃环之间的芳香π-π相互作用相连[质心-质心距离 = 3.578 (2) Å]。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/fe3b/3099782/e4cdd74dc0eb/e-67-0o767-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/fe3b/3099782/956693c2ea64/e-67-0o767-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/fe3b/3099782/cabc3b3ddc3a/e-67-0o767-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/fe3b/3099782/e4cdd74dc0eb/e-67-0o767-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/fe3b/3099782/956693c2ea64/e-67-0o767-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/fe3b/3099782/cabc3b3ddc3a/e-67-0o767-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/fe3b/3099782/e4cdd74dc0eb/e-67-0o767-fig3.jpg

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