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2-甲基-4-苯基喹啉-3-羧酸乙酯

Ethyl 2-methyl-4-phenyl-quinoline-3-carboxyl-ate.

作者信息

Bazgir Ayoob

机构信息

Department of Chemistry, Islamic Azad University, Dorood Branch, Dorood 688173551, Iran.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2009 May 23;65(Pt 6):o1382. doi: 10.1107/S1600536809018625.

Abstract

In the mol-ecule of the title compound, C(19)H(17)NO(2), the quinoline ring system is planar [maximum deviation 0.021 (3) Å] and oriented with respect to the phenyl ring at a dihedral angle of 80.44 (4)°. Intra-molecular C-H⋯O inter-actions result in the formation of five- and six-membered rings having planar and envelope conformations, respectively. In the crystal structure, inter-molecular C-H⋯O inter-actions link the mol-ecules into centrosymmetric dimers forming R(2) (2)(12) ring motifs. π-π contacts between the rings of the quinoline system [centroid-to-centroid distance = 3.812 (1) Å] may further stabilize the structure. Two weak C-H⋯π inter-actions are also found.

摘要

在标题化合物C(19)H(17)NO(2)的分子中,喹啉环系呈平面状[最大偏差0.021 (3) Å],相对于苯环的二面角为80.44 (4)°。分子内C-H⋯O相互作用分别导致形成具有平面和信封构象的五元环和六元环。在晶体结构中,分子间C-H⋯O相互作用将分子连接成中心对称二聚体,形成R(2) (2)(12)环基序。喹啉体系环之间的π-π接触[质心到质心距离 = 3.812 (1) Å]可能进一步稳定结构。还发现了两种弱C-H⋯π相互作用。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2190/2969813/84f1bb9bdb75/e-65-o1382-fig1.jpg

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