Choi Hong Dae, Lee Uk
Department of Chemistry, Dongeui University, San 24 Kaya-dong, Busanjin-gu, Busan 614-714, Republic of Korea.
Department of Chemistry, Pukyong National University, 599-1 Daeyeon 3-dong, Nam-gu, Busan 608-737, Republic of Korea.
Acta Crystallogr Sect E Struct Rep Online. 2014 May 17;70(Pt 6):o659. doi: 10.1107/S1600536814010459. eCollection 2014 Jun 1.
In the title compound, C16H12FIO2S, the dihedral angle between the plane of the benzo-furan ring system (r.m.s. deviation = 0.023 Å) and that of the 2-fluoro-phenyl ring is 39.78 (7)°. In the crystal, mol-ecules are linked via pairs of I⋯π contacts [3.812 (2) Å] and a π-π inter-action between the benzene rings of neighbouring mol-ecules [centroid-centroid distance = 3.821 (2) Å] into inversion dimers. These dimers are further linked by π-π inter-actions between the furan and benzene rings of neighbouring mol-ecules [centroid-centroid distance = 3.668 (2) Å]. The mol-ecules stack along the a-axis direction. In addition, C-H⋯O hydrogen bonds are observed between inversion-related dimers.
在标题化合物C₁₆H₁₂FIO₂S中，苯并呋喃环系平面（均方根偏差 = 0.023 Å）与2-氟苯环平面之间的二面角为39.78 (7)°。在晶体中，分子通过成对的I⋯π接触[3.812 (2) Å]以及相邻分子苯环之间的π-π相互作用[质心-质心距离 = 3.821 (2) Å]连接成反演二聚体。这些二聚体通过相邻分子的呋喃环和苯环之间的π-π相互作用[质心-质心距离 = 3.668 (2) Å]进一步连接。分子沿a轴方向堆积。此外，在反演相关的二聚体之间观察到C-H⋯O氢键。
