Choi Hong Dae, Seo Pil Ja, Son Byeng Wha, Lee Uk
Acta Crystallogr Sect E Struct Rep Online. 2011 Apr 1;67(Pt 4):o1026. doi: 10.1107/S160053681101124X. Epub 2011 Mar 31.
There are two independent mol-ecules, A and B, in the asymmetric unit of the title compound, C(15)H(17)ClO(2)S, in each of which the cyclo-hexyl ring adopts a chair conformation. The benzofuran units in each mol-ecule are essentially planar, with mean deviations from a least-squares plane defined by the nine constituent ring atoms of 0.006 (2) Å for A and 0.011 (2) Å for B. In the crystal, mol-ecules are linked by weak inter-molecular C-H⋯O and C-H⋯π inter-actions and by two I⋯O contacts [I⋯O = 3.079 (2) and 3.017 (2) Å].
在标题化合物C(15)H(17)ClO(2)S的不对称单元中有两个独立的分子A和B,每个分子中的环己基环均呈椅式构象。每个分子中的苯并呋喃单元基本为平面结构,由九个组成环原子定义的最小二乘平面的平均偏差,A为0.006 (2) Å,B为0.011 (2) Å。在晶体中,分子通过弱的分子间C-H⋯O和C-H⋯π相互作用以及两个I⋯O接触[I⋯O = 3.079 (2) 和3.017 (2) Å]相连。