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3-(4-氟-苯基亚磺酰基)-5-碘-2-甲基-1-苯并呋喃

3-(4-Fluoro-phenyl-sulfin-yl)-5-iodo-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 Jun 30;66(Pt 7):o1876. doi: 10.1107/S1600536810024931.

Abstract

In the title compound, C(15)H(10)FIO(2)S, the O atom and the 4-fluoro-phenyl group of the 4-fluoro-phenyl-sulfinyl substituent are located on opposite sides of the plane through the benzofuran fragment; the 4-fluoro-phenyl ring is nearly perpendicular to this plane, making a dihedral angle of 83.37 (7)°. The crystal structure is stabilized by weak inter-molecular C-H⋯O hydrogen bonds and an I⋯O inter-action [I⋯O = 3.255 (2) Å]. The crystal structure also exhibits inter-molecular C-F⋯π inter-actions [3.068 (2) Å], and aromatic π-π inter-actions between the furan and benzene rings of neighbouring benzofuran fragments [centroid-centroid distance = 3.636 (2) Å].

摘要

在标题化合物C₁₅H₁₀FIO₂S中,4-氟苯基亚磺酰基取代基的O原子和4-氟苯基位于通过苯并呋喃片段的平面的相对两侧;4-氟苯环几乎垂直于该平面,二面角为83.37 (7)°。晶体结构通过弱分子间C-H⋯O氢键和I⋯O相互作用[I⋯O = 3.255 (2) Å]得以稳定。晶体结构还表现出分子间C-F⋯π相互作用[3.068 (2) Å],以及相邻苯并呋喃片段的呋喃环和苯环之间的芳香π-π相互作用[质心-质心距离 = 3.636 (2) Å]。

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