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2-氯-5,8-二甲氧基喹啉-3-羧酸乙酯的晶体结构

Crystal structure of ethyl 2-chloro-5,8-di-meth-oxy-quinoline-3-carboxyl-ate.

作者信息

Hayour Hasna, Bouraiou Abdelmalek, Bouacida Sofiane, Benzerka Saida, Belfaitah Ali

机构信息

Laboratoire des Produits Naturels d'Origine Végétale et de Synthèse Organique, PHYSYNOR, Université Constantine 1, 25000 Constantine, Algeria.

Unité de Recherche de Chimie de l'Environnement et Moléculaire Structurale (CHEMS), Université Constantine 1, 25000 , Algeria ; Département Sciences de la Matière, Faculté des Sciences Exactes et Sciences de la Nature et de la Vie, Université Oum El Bouaghi, Algeria.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2014 Aug 1;70(Pt 9):o964-5. doi: 10.1107/S1600536814017309. eCollection 2014 Sep 1.

DOI:10.1107/S1600536814017309
PMID:25309282
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC4186085/
Abstract

In the title compound, C14H14ClNO4, the dihedral angle between the quinoline ring system (r.m.s. deviation = 0.0142 Å) and ester planes is 18.99 (3)°. The C-O-C-Cm (m = meth-yl) torsion angle is -172.08 (10)°, indicating a trans conformation. In the crystal, the mol-ecules are linked by C-H⋯O and C-H⋯N inter-actions, generating layers lying parallel to (101). Aromatic π-π stacking [centroid-centroid distances = 3.557 (2) and 3.703 (2)Å] links the layers into a three-dimensional network.

摘要

在标题化合物C₁₄H₁₄ClNO₄中，喹啉环系统（均方根偏差 = 0.0142 Å）与酯平面之间的二面角为18.99 (3)°。C-O-C-Cₘ（ₘ = 甲基）扭转角为 -172.08 (10)°，表明为反式构象。在晶体中，分子通过C-H⋯O和C-H⋯N相互作用连接，形成平行于(101)的层。芳香π-π堆积[质心-质心距离 = 3.557 (2) 和3.703 (2) Å]将这些层连接成三维网络。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5ed8/4186085/4015bced8f75/e-70-0o964-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5ed8/4186085/46d5a3270e59/e-70-0o964-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5ed8/4186085/4015bced8f75/e-70-0o964-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5ed8/4186085/46d5a3270e59/e-70-0o964-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5ed8/4186085/4015bced8f75/e-70-0o964-fig2.jpg

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本文引用的文献

1
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2
rac-2-(2-Chloro-6-methyl-quinolin-3-yl)-2,3-dihydro-quinolin-4(1H)-one.消旋-2-(2-氯-6-甲基喹啉-3-基)-2,3-二氢喹啉-4(1H)-酮
Acta Crystallogr Sect E Struct Rep Online. 2012 Jun 1;68(Pt 6):o1701-2. doi: 10.1107/S1600536812020831. Epub 2012 May 12.
3
A new quinoline derivative with cytotoxic activity from Streptomyces sp. neau50.
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Bioorg Med Chem Lett. 2011 Apr 15;21(8):2313-5. doi: 10.1016/j.bmcl.2011.02.095. Epub 2011 Mar 14.
4
Synthesis and antiprotozoal activity of novel 1-methylbenzimidazole derivatives.新型1-甲基苯并咪唑衍生物的合成及其抗原生动物活性
Bioorg Med Chem. 2009 Feb 15;17(4):1724-30. doi: 10.1016/j.bmc.2008.12.059. Epub 2009 Jan 1.
5
A short history of SHELX.SHELX简史。
Acta Crystallogr A. 2008 Jan;64(Pt 1):112-22. doi: 10.1107/S0108767307043930. Epub 2007 Dec 21.