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2-（4-氟苯基）-5-碘-7-甲基-3-甲亚磺酰基-1-苯并呋喃

2-(4-Fluoro-phen-yl)-5-iodo-7-methyl-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. 2010 Jun 16;66(Pt 7):o1680. doi: 10.1107/S1600536810022397.

DOI:10.1107/S1600536810022397
PMID:21587905
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3006691/
Abstract

In the title compound, C(16)H(12)FIO(2)S, the O atom and the methyl group of the methyl-sulfinyl substituent lie on opposite sides of the plane through the benzofuran fragment. The 4-fluoro-phenyl ring is rotated slightly out of the benzofuran plane, as indicated by the dihedral angle of 7.43 (6)°. In the crystal structure, pairs of short I⋯O [3.074 (2) Å] contacts link the mol-ecules into centrosymmetric dimers. These dimers are further linked via aromatic π-π inter-actions between the benzene and the 4-fluoro-phenyl rings of neighbouring mol-ecules [centroid-centroid distance = 3.617 (3) Å].

摘要

在标题化合物C(16)H(12)FIO(2)S中，甲基亚砜取代基的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-氟苯环略微偏离苯并呋喃平面，二面角为7.43 (6)°。在晶体结构中，短的I⋯O [3.074 (2) Å]接触对将分子连接成中心对称的二聚体。这些二聚体通过相邻分子的苯环和4-氟苯环之间的芳香π-π相互作用进一步连接[质心-质心距离 = 3.617 (3) Å]。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/dc01/3006691/e2c8139a0292/e-66-o1680-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/dc01/3006691/f7c82cd9dae4/e-66-o1680-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/dc01/3006691/e2c8139a0292/e-66-o1680-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/dc01/3006691/f7c82cd9dae4/e-66-o1680-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/dc01/3006691/e2c8139a0292/e-66-o1680-fig2.jpg

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