Choi Hong Dae, Seo Pil Ja, Lee Uk
Acta Crystallogr Sect E Struct Rep Online. 2012 Aug 1;68(Pt 8):o2491. doi: 10.1107/S1600536812032394. Epub 2012 Jul 18.
In the title compound, C(15)H(10)BrFO(2)S, the 3-fluoro-phenyl ring makes a dihedral angle of 85.0 (1)° with the mean plane [r.m.s. deviation = 0.008 (2) Å] of the benzofuran fragment. In the crystal, mol-ecules are linked by weak C-H⋯O hydrogen bonds and a Br⋯O contact [3.200 (3) Å]. The crystal structure also exhibits slipped π-π inter-actions between the benzene and furan rings of neighbouring mol-ecules [centroid-centroid distance = 3.619 (4) Å and slippage of 1.389 (4) Å]. In the 3-fluoro-phenyl ring, the F atom is disordered over two positions with site-occupancy factors of 0.583 (5) and 0.417 (5).
在标题化合物C₁₅H₁₀BrFO₂S中，3-氟苯环与苯并呋喃片段的平均平面[r.m.s.偏差 = 0.008 (2) Å]形成85.0 (1)°的二面角。在晶体中，分子通过弱C-H⋯O氢键和Br⋯O接触[3.200 (3) Å]相连。晶体结构还显示相邻分子的苯环和呋喃环之间存在滑移π-π相互作用[质心-质心距离 = 3.619 (4) Å，滑移1.389 (4) Å]。在3-氟苯环中，F原子在两个位置上无序，占位因子分别为0.583 (5)和0.417 (5)。
