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5-环己基-3-(4-氟苯基亚磺酰基)-2-甲基-1-苯并呋喃

5-Cyclo-hexyl-3-(4-fluoro-phenyl-sulfin-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):o768. doi: 10.1107/S1600536811007112. Epub 2011 Mar 2.

DOI:10.1107/S1600536811007112
PMID:21754062
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3099981/
Abstract

In the title compound, C(21)H(21)FO(2)S, the cyclo-hexyl ring adopts a chair conformation. The 4-fluoro-phenyl ring makes a dihedral angle of 83.55 (4)° with the mean plane of the benzofuran fragment. In the crystal, mol-ecules are linked through weak inter-molecular C-H⋯O and C-H⋯π inter-actions. The crystal structure also exhibits aromatic π-π inter-actions between the furan rings of neighbouring mol-ecules [centroid-centroid distance = 3.541 (2) Å].

摘要

在标题化合物C₂₁H₂₁FO₂S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83.55 (4)°的二面角。在晶体中，分子通过弱分子间C-H⋯O和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芳香π-π相互作用[质心-质心距离 = 3.541 (2) Å]。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a0b4/3099981/7d969beb59bd/e-67-0o768-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a0b4/3099981/4e019c6b7cdb/e-67-0o768-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a0b4/3099981/f85fc29cb5f1/e-67-0o768-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a0b4/3099981/7d969beb59bd/e-67-0o768-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a0b4/3099981/4e019c6b7cdb/e-67-0o768-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a0b4/3099981/f85fc29cb5f1/e-67-0o768-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a0b4/3099981/7d969beb59bd/e-67-0o768-fig3.jpg

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