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 Sep 3;70(Pt 10):o1078-9. doi: 10.1107/S1600536814019229. eCollection 2014 Oct 1.
In the title compound, C17H14ClFO2S, the dihedral angle between the mean planes of the benzo-furan ring system [maximum deviation = 0.037 (2) Å] and the 4-fluoro-benzene ring is 71.92 (5)°. An intra-molecular C-H⋯O hydrogen bond occurs. In the crystal, mol-ecules are linked by π-π stacking between the benzene rings of neighbouring mol-ecules [centroid-centroid distance = 3.7103 (10) Å]. These mol-ecules are further linked by C-S⋯π [S⋯centroid = 3.570 (1) Å] and C-H⋯O inter-actions, resulting in a three-dimensional supra-molecular network.
在标题化合物C₁₇H₁₄ClFO₂S中，苯并呋喃环系平均平面[最大偏差 = 0.037 (2) Å]与4-氟苯环之间的二面角为71.92 (5)°。存在分子内C-H⋯O氢键。在晶体中，分子通过相邻分子苯环之间的π-π堆积相连[质心-质心距离 = 3.7103 (10) Å]。这些分子还通过C-S⋯π [S⋯质心 = 3.570 (1) Å]和C-H⋯O相互作用进一步相连，形成三维超分子网络。
