Choi Hong Dae, Seo Pil Ja, Son Byeng Wha, Lee Uk
Acta Crystallogr Sect E Struct Rep Online. 2009 Aug 8;65(Pt 9):o2115. doi: 10.1107/S1600536809030992.
In the title compound, C(15)H(10)FIO(2)S, the O atom and the methyl group of the methyl-sulfinyl substituent lie on opposite sides of the plane through the benzofuran fragment. The 4-iodo-phenyl ring is rotated out of the benzofuran plane by a dihedral angle of 39.4 (1)°. The crystal structure is stabilized by an inter-molecular C-H⋯O hydrogen bond and an I⋯O halogen bond [3.055 (2) Å]. The crystal structure also exhibits an inter-molecular C-H⋯π inter-action between the methyl H atom and the 4-iodo-phenyl ring of an adjacent benzofuran mol-ecule, and aromatic π-π inter-actions between the benzene rings of neighbouring benzofuran systems [centroid-centroid distance = 3.558 (3) Å].
在标题化合物C₁₅H₁₀FIO₂S中，甲基亚砜取代基的O原子和甲基位于通过苯并呋喃片段的平面的相对两侧。4-碘苯基环与苯并呋喃平面的二面角为39.4 (1)°。晶体结构通过分子间C-H⋯O氢键和I⋯O卤键[3.055 (2) Å]得以稳定。晶体结构还表现出甲基H原子与相邻苯并呋喃分子的4-碘苯基环之间的分子间C-H⋯π相互作用，以及相邻苯并呋喃体系的苯环之间的芳香π-π相互作用[质心-质心距离 = 3.558 (3) Å]。
