2-（5-溴-3-甲基硫烷基-1-苯并呋喃-2-基）乙酸
2-(5-Bromo-3-methyl-sulfanyl-1-benzofuran-2-yl)acetic acid.
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 Feb 21;65(Pt 3):o563. doi: 10.1107/S1600536809005376.
Abstract
The title compound, C(11)H(9)BrO(3)S, was prepared by alkaline hydrolysis of ethyl 2-(5-bromo-3-methyl-sulfanyl-1-benzofuran-2-yl)acetate. In the crystal structure, the carboxyl groups are involved in inter-molecular O-H⋯O hydrogen bonds, which link the mol-ecules into centrosymmetric dimers. These dimers are further packed into stacks along the c axis by weak C-H⋯π inter-actions. In addition, the stacked mol-ecules exhibit a Br⋯S inter-action of 3.4787 (7) Å.
摘要
标题化合物C(11)H(9)BrO(3)S是通过2-(5-溴-3-甲基硫烷基-1-苯并呋喃-2-基)乙酸乙酯的碱性水解制备的。在晶体结构中，羧基参与分子间O-H⋯O氢键，这些氢键将分子连接成中心对称的二聚体。这些二聚体通过弱的C-H⋯π相互作用进一步沿c轴堆积成堆叠结构。此外，堆叠的分子表现出3.4787 (7) Å的Br⋯S相互作用。
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