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. 2012 Nov 1;68(Pt 11):o3208. doi: 10.1107/S1600536812043607. Epub 2012 Oct 27.
In the title compound, C(16)H(12)BrFO(3)S, the 4-fluoro-phenyl ring makes a dihedral angle of 72.35 (5)° with the mean plane [r.m.s. deviation = 0.008 (1) Å] of the benzofuran fragment. In the crystal, mol-ecules are linked into [010] chains via two different inversion-generated pairs of C-H⋯O hydrogen bonds. The crystal structure also exhibits slipped π-π inter-actions between the benzene rings of neighbouring mol-ecules [centroid-centroid distance = 3.667 (2) Å and slippage = 1.341 (2) Å], and between the benzene and the furan rings of neighbouring mol-ecules [centroid-centroid distance = 3.759 (2) Å and slippage = 0.757 (2) Å].
在标题化合物C₁₆H₁₂BrFO₃S中，4-氟苯基环与苯并呋喃片段的平均平面[r.m.s.偏差 = 0.008 (1) Å]形成72.35 (5)°的二面角。在晶体中，分子通过两种不同的由反演产生的C—H⋯O氢键对连接成[010]链。晶体结构还在相邻分子的苯环之间[质心-质心距离 = 3.667 (2) Å，滑移 = 1.341 (2) Å]以及相邻分子的苯环与呋喃环之间[质心-质心距离 = 3.759 (2) Å，滑移 = 0.757 (2) Å]表现出滑移π-π相互作用。
