Choi Hong Dae, Seo Pil Ja, Son Byeng Wha, Lee Uk
Acta Crystallogr Sect E Struct Rep Online. 2010 Jun 30;66(Pt 7):o1876. doi: 10.1107/S1600536810024931.
In the title compound, C(15)H(10)FIO(2)S, the O atom and the 4-fluoro-phenyl group of the 4-fluoro-phenyl-sulfinyl substituent are located on opposite sides of the plane through the benzofuran fragment; the 4-fluoro-phenyl ring is nearly perpendicular to this plane, making a dihedral angle of 83.37 (7)°. The crystal structure is stabilized by weak inter-molecular C-H⋯O hydrogen bonds and an I⋯O inter-action [I⋯O = 3.255 (2) Å]. The crystal structure also exhibits inter-molecular C-F⋯π inter-actions [3.068 (2) Å], and aromatic π-π inter-actions between the furan and benzene rings of neighbouring benzofuran fragments [centroid-centroid distance = 3.636 (2) Å].
在标题化合物C₁₅H₁₀FIO₂S中，4-氟苯基亚磺酰基取代基的O原子和4-氟苯基位于通过苯并呋喃片段的平面的相对两侧；4-氟苯环几乎垂直于该平面，二面角为83.37 (7)°。晶体结构通过弱分子间C-H⋯O氢键和I⋯O相互作用[I⋯O = 3.255 (2) Å]得以稳定。晶体结构还表现出分子间C-F⋯π相互作用[3.068 (2) Å]，以及相邻苯并呋喃片段的呋喃环和苯环之间的芳香π-π相互作用[质心-质心距离 = 3.636 (2) Å]。
