2-（5-氟-3-甲基亚磺酰基-1-苯并呋喃-2-基）乙酸乙酯
Ethyl 2-(5-fluoro-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. 2009 Jul 11;65(Pt 8):o1826. doi: 10.1107/S1600536809025938.
In the title compound, C(13)H(13)FO(4)S, the O atom and the methyl group of the methyl-sulfinyl substituent lie on opposite sides of the plane through the benzofuran fragment. The crystal structure exhibits four inter-molecular non-classical C-H⋯O hydrogen bonds. In addition, the crystal structure contains aromatic π-π inter-actions between the furan and benzene rings of adjacent mol-ecules [centroid-centroid distance = 3.743 (2) Å], and two inter-molecular C-H⋯π inter-actions.
在标题化合物C₁₃H₁₃FO₄S中，甲基亚砜取代基的O原子和甲基位于通过苯并呋喃片段的平面的相对两侧。晶体结构呈现出四个分子间非经典的C—H⋯O氢键。此外，晶体结构包含相邻分子的呋喃环和苯环之间的芳香π-π相互作用[质心-质心距离 = 3.743 (2) Å]，以及两个分子间C—H⋯π相互作用。
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