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5-氯-2-苯基-3-苯基亚磺酰基-1-苯并呋喃

5-Chloro-2-phenyl-3-phenyl-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 Jul 22;65(Pt 8):o1958. doi: 10.1107/S1600536809028153.

DOI:10.1107/S1600536809028153
PMID:21583636
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2977298/
Abstract

In the title compound, C(20)H(13)ClO(2)S, the O atom and the phenyl group of the phenyl-sulfinyl substituent lie on opposite sides of the plane of the benzofuran fragment; the S-bound phenyl ring is nearly perpendicular to this plane [80.87 (5)°]. The phenyl ring in the 2-position is rotated out of the benzofuran plane, making a dihedral angle of 17.43 (7)°. The crystal structure features π-π inter-actions between the phenyl ring and the furyl ring of a neighbouring benzofuran system [centroid-centroid distance = 3.886 (2) Å].

摘要

在标题化合物C(20)H(13)ClO(2)S中，苯基亚磺酰基取代基的O原子和苯基位于苯并呋喃片段平面的相对两侧；与S相连的苯环几乎垂直于该平面[80.87 (5)°]。2-位的苯环旋转出苯并呋喃平面，形成17.43 (7)°的二面角。晶体结构的特征是相邻苯并呋喃体系的苯环与呋喃环之间存在π-π相互作用[质心-质心距离 = 3.886 (2) Å]。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ce81/2977298/a338de61e57f/e-65-o1958-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ce81/2977298/cc2cacf31048/e-65-o1958-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ce81/2977298/a338de61e57f/e-65-o1958-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ce81/2977298/cc2cacf31048/e-65-o1958-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ce81/2977298/a338de61e57f/e-65-o1958-fig2.jpg

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