Choi Hong Dae, Seo Pil Ja, Lee Uk
Department of Chemistry, Dongeui University, San 24 Kaya-dong, Busanjin-gu, Busan 614-714, Republic of Korea.
Acta Crystallogr Sect E Struct Rep Online. 2013 May 4;69(Pt 6):o820. doi: 10.1107/S1600536813011793. Print 2013 Jun 1.
In the title compound, C21H14FIO2S, the dihedral angles between the mean plane [r.m.s. deviation = 0.007 (1) Å] of the benzo-furan fragment and the pendant 4-fluoro-phenyl and phenyl rings are 3.66 (7) and 82.37 (6)°, respectively. In the crystal, mol-ecules are linked by pairs of C-H⋯I hydrogen bonds into centrosymmetric dimers, which are further packed into stacks along the b axis by C-H⋯O hydrogen bonds. In addition, the stacked mol-ecules exhibit inversion-related S⋯O contacts [2.9627 (14) Å] involving the sulfinyl groups.
在标题化合物C₂₁H₁₄FIO₂S中，苯并呋喃片段的平均平面[r.m.s.偏差 = 0.007 (1) Å]与悬垂的4-氟苯基和苯基环之间的二面角分别为3.66 (7)°和82.37 (6)°。在晶体中，分子通过成对的C-H⋯I氢键连接成中心对称的二聚体，这些二聚体通过C-H⋯O氢键进一步沿b轴堆积成堆叠结构。此外，堆叠的分子表现出涉及亚磺酰基的反演相关S⋯O接触[2.9627 (14) Å]。
