Wang Zhiming, Yu Bin, Zhang Xiuqin, Cui Yuan, Sun Xiaoqiang
Acta Crystallogr Sect E Struct Rep Online. 2012 Feb 1;68(Pt 2):o390. doi: 10.1107/S1600536811054948. Epub 2012 Jan 14.
In the title compound, C(14)H(7)FN(2)OS, prepared by the reaction of 2-bromo-4-fluoro-benzoyl choride with 2-mercaptobenzimidazole, the four-membered fused-ring system is essentially planar [maximum deviation from the mean plane = 0.035 (2) Å]. The crystal packing is stabilized by weak inter-molecular π-π [minimum ring centroid-centroid separation = 3.509 (7) Å], weak C-F⋯π [F⋯centroid = 3.4464 (17) Å, C-F⋯centroid = 97.72 (11)°] and C-O⋯π [O⋯centroid = 3.5230 (16) and 3.7296 (17) Å, C-O⋯centroid = 86.40 (10) and 86.25 (10)°] inter-actions and weak inter-molecular C-H⋯N hydrogen bonds.
在通过2-溴-4-氟苯甲酰氯与2-巯基苯并咪唑反应制备的标题化合物C₁₄H₇FN₂OS中，四元稠环体系基本呈平面状[与平均平面的最大偏差 = 0.035 (2) Å]。晶体堆积通过弱分子间π-π相互作用[最小环心-环心间距 = 3.509 (7) Å]、弱C-F⋯π相互作用[F⋯环心 = 3.4464 (17) Å，C-F⋯环心 = 97.72 (11)°]和C-O⋯π相互作用[O⋯环心 = 3.5230 (16) 和3.7296 (17) Å，C-O⋯环心 = 86.40 (10) 和86.25 (10)°]以及弱分子间C-H⋯N氢键得以稳定。
