Choi Hong Dae, Seo Pil Ja, Son Byeng Wha, Lee Uk
Acta Crystallogr Sect E Struct Rep Online. 2009 Mar 25;65(Pt 4):o838. doi: 10.1107/S1600536809009775.
The title compound, C(14)H(15)BrO(4)S, was prepared by the oxidation of ethyl 2-(5-bromo-3-ethyl-sulfanyl-1-benzofuran-2-yl)acetate with 3-chloro-peroxy-benzoic acid. The crystal structure is stabilized by aromatic π-π inter-actions between the benzene rings of neighbouring mol-ecules [centroid-centroid distance = 3.814 (9) Å], and possibly by weak C-H⋯π inter-actions. In addition, the crystal structure exhibits three inter-molecular C-H⋯O non-classical hydrogen bonds. The ethyl group bonded to carboxyl-ate O atom is disordered over two positions, with refined site-occupancy factors of 0.686 (18) and 0.314 (18).
标题化合物C(14)H(15)BrO(4)S是通过用3-氯过氧苯甲酸氧化2-(5-溴-3-乙基硫烷基-1-苯并呋喃-2-基)乙酸乙酯制备的。晶体结构通过相邻分子苯环之间的芳香π-π相互作用[质心-质心距离 = 3.814 (9) Å]以及可能的弱C-H⋯π相互作用得以稳定。此外，晶体结构还呈现出三个分子间C-H⋯O非经典氢键。与羧酸根O原子相连的乙基在两个位置上无序排列，精修后的占位因子分别为0.686 (18) 和0.314 (18)。
