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5-溴-2-(4-氟苯基)-3-甲基亚磺酰基-1-苯并呋喃

5-Bromo-2-(4-fluoro-phen-yl)-3-methyl-sulfinyl-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. 2009 Dec 12;66(Pt 1):o104. doi: 10.1107/S1600536809052519.

DOI:10.1107/S1600536809052519
PMID:21579995
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2980067/
Abstract

In the title compound, C(15)H(10)BrFO(2)S, the O atom and the methyl group of the methyl-sulfinyl substituent are located on opposite sides of the plane through the benzofuran fragment. The 4-fluoro-phenyl ring is rotated out of the benzofuran plane, as indicated by a dihedral angle of 26.23 (5)°. The crystal structure is stabilized by a non-classical inter-molecular C-H⋯O hydrogen bond and a Br⋯O halogen bond [3.163 (2) Å].

摘要

在标题化合物C₁₅H₁₀BrFO₂S中，甲基亚磺酰基取代基的O原子和甲基位于通过苯并呋喃片段的平面的相对两侧。4-氟苯基环旋转出苯并呋喃平面，二面角为26.23（5）°。晶体结构通过非经典的分子间C-H⋯O氢键和Br⋯O卤键[3.163（2）Å]得以稳定。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/fc2a/2980067/269d982d32c1/e-66-0o104-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/fc2a/2980067/1ce4d413a251/e-66-0o104-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/fc2a/2980067/269d982d32c1/e-66-0o104-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/fc2a/2980067/1ce4d413a251/e-66-0o104-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/fc2a/2980067/269d982d32c1/e-66-0o104-fig2.jpg

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