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.
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。
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本文引用的文献
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A short history of SHELX.SHELX简史。
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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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