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5-乙基-3-(4-氟苯基磺酰基)-2-甲基-1-苯并呋喃

5-Ethyl-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. 2010 Sep 18;66(Pt 10):o2575. doi: 10.1107/S1600536810036391.

DOI:10.1107/S1600536810036391
PMID:21587558
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2983155/
Abstract

In the title mol-ecule, C(17)H(15)FO(3)S, the 4-fluoro-phenyl ring makes a dihedral angle of 74.06 (4)° with the mean plane of the benzofuran fragment. In the crystal structure, mol-ecules are linked by weak inter-molecular C-H⋯O and C-H⋯π inter-actions. The crystal structure also exhibits aromatic π-π inter-actions between the benzene rings of adjacent mol-ecules [centroid-centroid distance = 3.629 (2) Å].

摘要

在标题分子C(17)H(15)FO(3)S中，4-氟苯环与苯并呋喃片段的平均平面形成74.06 (4)°的二面角。在晶体结构中，分子通过弱的分子间C-H⋯O和C-H⋯π相互作用相连。晶体结构还显示出相邻分子的苯环之间存在芳香族π-π相互作用[质心-质心距离 = 3.629 (2) Å]。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/113c/2983155/4f0658b1f345/e-66-o2575-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/113c/2983155/52cadbfb7824/e-66-o2575-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/113c/2983155/4f0658b1f345/e-66-o2575-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/113c/2983155/52cadbfb7824/e-66-o2575-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/113c/2983155/4f0658b1f345/e-66-o2575-fig2.jpg

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