Choi Hong Dae, Seo Pil Ja, Son Byeng Wha, Lee Uk
Acta Crystallogr Sect E Struct Rep Online. 2009 Jul 11;65(Pt 8):o1809. doi: 10.1107/S1600536809024556.
In the title compound, C(20)H(13)IO(2)S, the O atom and the phenyl group of the phenyl-sulfinyl substituent lie on opposite sides of the plane of the benzofuran fragment; the phenyl ring is almost perpendicular to this plane [83.84 (5)°]. The phenyl ring in the 2-position is rotated out of the benzofuran plane, making a dihedral angle of 40.47 (5)°. The crystal structure is stabilized by non-classical inter-molecular C-H⋯O inter-actions, and by an I⋯O halogen bond of 3.124 (1) Å [C-I⋯O = 165.84 (5)°].
在标题化合物C(20)H(13)IO(2)S中,苯基亚磺酰基取代基的O原子和苯基位于苯并呋喃片段平面的相对两侧;苯环几乎垂直于该平面[83.84 (5)°]。2-位的苯环旋转出苯并呋喃平面,形成40.47 (5)°的二面角。晶体结构通过非经典的分子间C-H⋯O相互作用以及3.124 (1) Å的I⋯O卤键[C-I⋯O = 165.84 (5)°]得以稳定。