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2,4-二氯喹啉-3-羧酸乙酯的晶体结构

Crystal structure of ethyl 2,4-di-chloro-quinoline-3-carboxyl-ate.

作者信息

Cabrera Alberto, Miranda Luis D, Reyes Héctor, Aguirre Gerardo, Chávez Daniel

机构信息

Centro de Graduados e Investigación en Química del Instituto, Tecnológico de, Tijuana, Apdo. Postal 1166, 22500, Tijuana, B.C., Mexico.

Instituto de Química, Universidad Nacional Autónoma de, México, Circuito, Exterior, S. N., Ciudad Universitaria, Coyoacán, México, D. F. 04510, México.

出版信息

Acta Crystallogr E Crystallogr Commun. 2015 Nov 14;71(Pt 12):o939. doi: 10.1107/S2056989015020587. eCollection 2015 Dec 1.

DOI:10.1107/S2056989015020587
PMID:26870538
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC4719891/
Abstract

In the crystal structure of the title compound, C12H9Cl2NO2, the mean planes through the quinoline and carboxyl-ate groups have r.m.s. deviations of 0.006 and 0.021 Å, respectively, and form a dihedral angle of 87.06 (19)°. In the crystal, mol-ecules are linked via very weak C-H⋯O hydrogen bonds, forming chains, which propagate along the c-axis direction.

摘要

在标题化合物C₁₂H₉Cl₂NO₂的晶体结构中，通过喹啉和羧酸盐基团的平均平面的均方根偏差分别为0.006 Å和0.021 Å，且形成87.06 (19)°的二面角。在晶体中，分子通过非常弱的C—H⋯O氢键相连，形成沿c轴方向延伸的链。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/fc3b/4719891/1d7f8590805d/e-71-0o939-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/fc3b/4719891/102ea4660c74/e-71-0o939-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/fc3b/4719891/1d7f8590805d/e-71-0o939-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/fc3b/4719891/102ea4660c74/e-71-0o939-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/fc3b/4719891/1d7f8590805d/e-71-0o939-fig2.jpg

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