Choi Hong Dae, Seo Pil Ja, Son Byeng Wha, Lee Uk
Acta Crystallogr Sect E Struct Rep Online. 2011 May 1;67(Pt 5):o1039. doi: 10.1107/S1600536811011354. Epub 2011 Apr 7.
In the title compound, C(16)H(19)BrO(2)S, the cyclo-hexyl ring adopts a chair conformation. In the crystal, mol-ecules are linked by a Br⋯Br [3.5994 (5) Å] contact and a C-H⋯π inter-action involving the phenyl ring of the benzofuran. The crystal structure also exhibits a slipped π-π inter-action between the furan rings of neighbouring mol-ecules [centroid-centroid distance = 3.767 (1) Å and inter-planar distance of 3.452 (1) Å with a slippage of 1.508 Å].
在标题化合物C(16)H(19)BrO(2)S中,环己基环呈椅式构象。在晶体中,分子通过Br⋯Br [3.5994 (5) Å]接触以及涉及苯并呋喃苯环的C-H⋯π相互作用相连。晶体结构还显示相邻分子的呋喃环之间存在滑移π-π相互作用[质心-质心距离 = 3.767 (1) Å,平面间距离为3.452 (1) Å,滑移为1.508 Å]。