5-环己基-3-(4-氟苯基磺酰基)-2-甲基-1-苯并呋喃
5-Cyclo-hexyl-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. 2011 Apr 1;67(Pt 4):o767. doi: 10.1107/S1600536811006593. Epub 2011 Mar 2.
Abstract
In the title compound, C(21)H(21)FO(3)S, the cyclo-hexyl ring adopts a chair conformation. The 4-fluoro-phenyl ring makes a dihedral angle of 77.71 (4)° with the mean plane of the benzofuran fragment. In the crystal, mol-ecules are linked through inter-molecular C-H⋯O hydrogen bonds and aromatic π-π inter-actions between the furan rings of neighbouring mol-ecules [centroid-centroid distance = 3.578 (2) Å].
摘要
在标题化合物C₂₁H₂₁FO₃S中，环己基环呈椅式构象。4-氟苯基环与苯并呋喃片段的平均平面形成77.71 (4)°的二面角。在晶体中，分子通过分子间C-H⋯O氢键以及相邻分子呋喃环之间的芳香π-π相互作用相连[质心-质心距离 = 3.578 (2) Å]。
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