Choi Hong Dae, Seo Pil Ja, Son Byeng Wha, Lee Uk
Acta Crystallogr Sect E Struct Rep Online. 2009 Aug 8;65(Pt 9):o2096. doi: 10.1107/S1600536809030451.
In the title compound, C(12)H(11)FO(4)S, the O atom and the methyl group of the methyl-sulfinyl substituent lie on opposite sides of the plane of the benzofuran fragment [O-S-C-C and C-S-C-C torsion angles = 126.70 (13) and -123.55 (13)°, respectively]. The crystal structure is stabilized by weak non-classical inter-molecular C-H⋯O hydrogen-bond inter-actions. The crystal structure also exhibits aromatic π-π stacking inter-actions between furan/benzene and benzene/benzene rings of adjacent benzofuran ring systems [centroid-centroid distances = 3.8258 (9) and 3.8794 (9) Å] and a weak inter-molecular C-H⋯π ring inter-action.
在标题化合物C₁₂H₁₁FO₄S中，甲基亚砜取代基的O原子和甲基位于苯并呋喃片段平面的两侧[O-S-C-C和C-S-C-C扭转角分别为126.70 (13)°和 -123.55 (13)°]。晶体结构通过弱的非经典分子间C-H⋯O氢键相互作用得以稳定。晶体结构还表现出相邻苯并呋喃环体系的呋喃/苯和苯/苯环之间的芳香π-π堆积相互作用[质心-质心距离 = 3.8258 (9) 和3.8794 (9) Å]以及弱的分子间C-H⋯π环相互作用。
