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2-甲基-3-(3-甲基苯基)丙烯酸

2-Methyl-3-(3-methyl-phen-yl)acrylic acid.

作者信息

Muhammad Niaz, Ali Saqib, Tahir M Nawaz

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2008 Jul 5;64(Pt 8):o1373. doi: 10.1107/S1600536808019545.

Abstract

The crystal structure of the title compound, C(11)H(12)O(2), consists of dimers which are formed due to inter-molecular O-H⋯O hydrogen bonding. The dimers are linked to each other by C-H⋯O hydrogen bonds, where C-H belongs to the benzene ring and the O atom is of a carbonyl group of an adjoining mol-ecule. There exist two inter-molecular C-H⋯O hydrogen bonds which form five-membered rings. There exist two π-π inter-actions between the benzene rings. The perpendicular distance in these inter-actions are 3.006 and 3.396 Å. There also exist C-H⋯π and C-O⋯π inter-actions.

摘要

标题化合物C(11)H(12)O(2)的晶体结构由二聚体组成,这些二聚体是通过分子间O-H⋯O氢键形成的。二聚体通过C-H⋯O氢键相互连接,其中C-H属于苯环,O原子是相邻分子羰基的O原子。存在两个形成五元环的分子间C-H⋯O氢键。苯环之间存在两个π-π相互作用。这些相互作用中的垂直距离分别为3.006 Å和3.396 Å。还存在C-H⋯π和C-O⋯π相互作用。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1fe2/2962008/235535e381b7/e-64-o1373-fig1.jpg

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