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2-(2,6-二氟苄氧基)-4-(4,6-二甲氧基嘧啶-2-基)喹啉-3-羧酸乙酯

Ethyl 2-(2,6-difluoro-benz-yloxy)-4-(4,6-dimethoxy-pyrimidin-2-yl)quinoline-3-carboxyl-ate.

作者信息

Li Yuan-Xiang

机构信息

Key Laboratory of Hunan Province for the Study and Utilization, of Ethnic Medicinal Plant Resources, Huaihua University, Huaihua 418008, People's Republic of China.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2009 Aug 8;65(Pt 9):o2101. doi: 10.1107/S1600536809030499.

DOI:10.1107/S1600536809030499
PMID:21577516
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2970014/
Abstract

In the title compound, C(25)H(21)F(2)N(3)O(5), the pyrimidine and difluoro-benz-yloxy rings are twisted away from the central quinoline ring system, making dihedral angles of 54.6 (1) and 74.1 (1)°, respectively. A weak C-H⋯O inter-action links symmetry-related mol-ecules, forming a pseudo-dimer. π-π inter-actions between the quinoline rings of symmetry-related mol-ecules [centroid-centroid distance = 3.5479 (10) Å] link these dimers into chains parallel to [101]. Weak C-H⋯π inter-actions join adjacent chains, forming a two-dimensional layer parallel to (101).

摘要

在标题化合物C(25)H(21)F(2)N(3)O(5)中，嘧啶环和二氟苄氧基环与中心喹啉环系统发生扭曲，二面角分别为54.6 (1)°和74.1 (1)°。一个弱的C—H⋯O相互作用连接对称相关的分子，形成一个假二聚体。对称相关分子的喹啉环之间的π-π相互作用[质心-质心距离 = 3.5479 (10) Å]将这些二聚体连接成平行于[101]的链。弱的C—H⋯π相互作用连接相邻的链，形成一个平行于(101)的二维层。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9737/2970014/19bff78b82f2/e-65-o2101-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9737/2970014/06871ec3b6cd/e-65-o2101-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9737/2970014/19bff78b82f2/e-65-o2101-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9737/2970014/06871ec3b6cd/e-65-o2101-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9737/2970014/19bff78b82f2/e-65-o2101-fig2.jpg

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