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7,7'-二氯-4-氧代-4H-[1,4'-联喹啉]-3,3'-二羧酸二乙酯

Diethyl 7,7'-di-chloro-4-oxo-4H-[1,4'-bi-quinoline]-3,3'-di-carboxyl-ate.

作者信息

Ishikawa Yoshinobu, Sugisawa Yasuhiro

机构信息

School of Pharmaceutical Sciences, University of Shizuoka, 52-1 Yada, Suruga-ku, Shizuoka 422-8526, Japan.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2014 May 10;70(Pt 6):o655. doi: 10.1107/S1600536814010320. eCollection 2014 Jun 1.

DOI:10.1107/S1600536814010320
PMID:24940239
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC4051084/
Abstract

In the title compound, C24H18Cl2N2O5, the quinoline and quinolinone moieties are nearly perpendicular to each other, forming a dihedral angle of 82.36 (3)°. In the crystal, mol-ecules form a halogen bond between a Cl atom of a quinolinone moiety and the N atom of the quinoline moiety of the inversion equivalent [Cl⋯N = 3.106 (3) Å]. The mol-ecules also form two kinds of C-H⋯O hydrogen-bonded centrosymmetric inversion dimers, making chains along the c-axis direction which are further inter-linked by the halogen bonds into layers parallel to the bc plane.

摘要

在标题化合物C₂₄H₁₈Cl₂N₂O₅中,喹啉和喹啉酮部分几乎相互垂直,形成的二面角为82.36 (3)°。在晶体中,分子在喹啉酮部分的一个Cl原子与反演等效的喹啉部分的N原子之间形成卤键[Cl⋯N = 3.106 (3) Å]。分子还形成两种C—H⋯O氢键连接的中心对称反演二聚体,沿c轴方向形成链,这些链通过卤键进一步相互连接形成平行于bc平面的层。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a0d9/4051084/ed03fb573312/e-70-0o655-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a0d9/4051084/f039e30e32f1/e-70-0o655-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a0d9/4051084/ed03fb573312/e-70-0o655-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a0d9/4051084/f039e30e32f1/e-70-0o655-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a0d9/4051084/ed03fb573312/e-70-0o655-fig2.jpg

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