Choi Hong Dae, Seo Pil Ja, Lee Uk
Acta Crystallogr Sect E Struct Rep Online. 2012 Aug 1;68(Pt 8):o2390. doi: 10.1107/S1600536812030036. Epub 2012 Jul 7.
In the title compound, C(16)H(13)IO(2)S, the 4-methyl-phenyl ring makes a dihedral angle of 88.36 (7)° with the mean plane [r.m.s. deviation = 0.006 (2) Å] of the benzofuran fragment. In the crystal, mol-ecules are linked by weak C-H⋯O hydrogen bonds and an I⋯O contact [3.103 (2) Å]. The crystal structure also exhibits slipped π-π inter-actions between the benzene and furan rings of neighbouring mol-ecules [centroid-centroid distance = 3.659 (2) Å].
在标题化合物C₁₆H₁₃IOS₂中，4-甲基苯基环与苯并呋喃片段的平均平面[r.m.s.偏差 = 0.006(2) Å]形成88.36(7)°的二面角。在晶体中，分子通过弱C-H⋯O氢键和I⋯O接触[3.103(2) Å]相连。晶体结构还显示相邻分子的苯环和呋喃环之间存在滑移π-π相互作用[质心-质心距离 = 3.659(2) Å]。
