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4-[4-(二甲基氨基)苯基]-2,6-二甲基-1,4-二氢吡啶-3,5-二羧酸二乙酯

Diethyl 4-[4-(dimethyl-amino)phen-yl]-2,6-dimethyl-1,4-dihydro-pyridine-3,5-dicarboxyl-ate.

作者信息

Ji Xiao-Ling, Sun Wang-Bin, Zhang Qian, Cao Yan-Ping, Bai Ming-Sheng

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2010 Feb 6;66(Pt 3):o519. doi: 10.1107/S1600536810003508.

DOI:10.1107/S1600536810003508
PMID:21580293
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2983663/
Abstract

In the title compound, C(21)H(28)N(2)O(4), the dihydro-pyridine ring adopts a flattened boat conformation. The mean plane of the dihydro-pyridine ring and the attached benzene ring form a dihedral angle of 85.1 (1) Å. One of two ethyl fragments is disordered between two conformations in a 0.67 (4):0.33 (4) ratio. In the crystal structure, mol-ecules related by translation along the a axis are linked into chains via inter-molecular N-H⋯O hydrogen bonds.

摘要

在标题化合物C₂₁H₂₈N₂O₄中,二氢吡啶环呈扁平船式构象。二氢吡啶环的平均平面与相连的苯环形成85.1 (1) °的二面角。两个乙基片段中的一个在两种构象之间无序排列,比例为0.67 (4):0.33 (4)。在晶体结构中,沿a轴平移相关的分子通过分子间N—H⋯O氢键连接成链。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b891/2983663/817843bb1cc2/e-66-0o519-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b891/2983663/817843bb1cc2/e-66-0o519-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b891/2983663/817843bb1cc2/e-66-0o519-fig1.jpg

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本文引用的文献

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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.
2
Crystal structures of calcium channel antagonists: 2,6-dimethyl-3,5-dicarbomethoxy-4-[2-nitro-, 3-cyano-, 4-(dimethylamino)-, and 2,3,4,5,6-pentafluorophenyl]-1,4-dihydropyridine.钙通道拮抗剂的晶体结构:2,6 - 二甲基 - 3,5 - 二羧酸甲酯基 - 4 - [2 - 硝基 -、3 - 氰基 -、4 -(二甲氨基) - 和2,3,4,5,6 - 五氟苯基] - 1,4 - 二氢吡啶
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