2-[(4-氯-苄基)羰基-甲基]苯甲酸
2-[(4-Chloro-benz-yl)carbonyl-meth-yl]benzoic acid.
作者信息
Abid Obaid-Ur-Rahman, Qadeer Ghulam, Rama Nasim Hasan, Ruzicka Ales
出版信息
Acta Crystallogr Sect E Struct Rep Online. 2008 Oct 25;64(Pt 11):o2205. doi: 10.1107/S160053680803451X.
Abstract
The title compound, C(16)H(13)ClO(3), is an important inter-mediate in the conversion of isocoumarin to 3,4-dihydro-isocoumarin. The two aromatic rings are oriented at a dihedral angle of 67.18 (3)°. In the crystal structure, inter-molecular O-H⋯O hydrogen bonds link the mol-ecules into centrosymmetric dimers. There is also a C-H⋯π contact between the benzoic acid and 4-chloro-benzyl rings.
摘要
标题化合物C(16)H(13)ClO(3)是异香豆素转化为3,4-二氢异香豆素过程中的重要中间体。两个芳环的二面角为67.18 (3)°。在晶体结构中，分子间的O-H⋯O氢键将分子连接成中心对称的二聚体。苯甲酸环与4-氯苄基环之间还存在C-H⋯π相互作用。
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