2-（5-氯-3-甲基亚磺酰基-1-苯并呋喃-2-基）乙酸异丙酯
Isopropyl 2-(5-chloro-3-methyl-sulfinyl-1-benzofuran-2-yl)acetate.
作者信息
Choi Hong Dae, Seo Pil Ja, Son Byeng Wha, Lee Uk
出版信息
Acta Crystallogr Sect E Struct Rep Online. 2008 Dec 3;65(Pt 1):o3. doi: 10.1107/S1600536808039937.
In the title compound, C(14)H(15)ClO(4)S, the S atom has a distorted trigonal-pyramidal coordination. The O atom and the methyl group of the methylsulfinyl substituent lie on opposite sides of the benzofuran ring system. The crystal structure is stabilized by intermolecular aromatic π-π interactions between the benzene rings of neighbouring molecules [centroid-centroid distance = 4.057 (3) Å], and by C-H⋯π interactions between a methyl H atom and the benzene ring of an adjacent molecule.
在标题化合物C₁₄H₁₅ClO₄S中，S原子具有扭曲的三角锥配位。氧原子和甲亚砜取代基的甲基位于苯并呋喃环系统的相对两侧。晶体结构通过相邻分子苯环之间的分子间芳香π-π相互作用[质心-质心距离 = 4.057(3) Å]以及甲基H原子与相邻分子苯环之间的C-H⋯π相互作用得以稳定。
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