3-(4-Bromo-phenyl-sulfon-yl)-5-cyclo-hexyl-2-methyl-1-benzofuran.
3-(4-Bromo-phenyl-sulfon-yl)-5-cyclo-hexyl-2-methyl-1-benzofuran.
复制标题
3-(4-溴-苯基-磺基-)-5-环己基-2-甲基-1-苯并呋喃。
DOI：
10.1107/s1600536812001791
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发表时间：
2012
期刊：
影响因子：
--
通讯作者：
Lee,Uk
中科院分区：
文献类型：
--
作者：
Choi,HongDae;Seo,PilJa;Lee,Uk
在标题化合物C21 H21 BrO 3S中，环己基环采用椅式构象。4-溴苯基环与苯并呋喃片段的平均平面形成80.88（6）°的二面角。 在磺酰基的O原子和芳环的一个H原子之间形成分子内C-H-O氢键，从而形成五元环。晶体堆积由分子间C-H-O氢键稳定，该氢键将分子连接成具有平行于c轴的图形集符号C（6）的链，以及π-π堆积相互作用[质心-质心距离= 3.6129（12）<$]。
In the title compound, C21H21BrO3S, the cyclohexyl ring adopts a chair conformation. The 4-bromophenyl ring makes a dihedral angle of 80.88 (6)° with the mean plane of the benzofuran fragment. An intramolecular C—H⋯O hydrogen bond is formed between an O atom of the sulfonyl group and one H atom of the aromatic ring such that a five-membered ring is formed. The crystal packing is stabilized by an intermolecular C—H⋯O hydrogen bond, which links the molecules into chains with graph-set notation C(6) running parallel to the c axis, and π–π stacking interactions [centroid–centroid distance = 3.6129 (12) Å].