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4-(4-羟基苯基)-2,6-二甲基-1,4-二氢吡啶-3,5-二甲酸二甲酯

Dimethyl 4-(4-hy-droxy-phen-yl)-2,6-dimethyl-1,4-dihydro-pyridine-3,5-dicarboxyl-ate.

作者信息

Zhang Chun-Hua, Zhao Jing-Min, Chen Bao-Guo

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2011 Sep 1;67(Pt 9):o2362-3. doi: 10.1107/S1600536811032521. Epub 2011 Aug 17.

DOI:10.1107/S1600536811032521
PMID:22064645
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3200733/
Abstract

The title mol-ecule, C(17)H(19)NO(5), was prepared by a Hantzsch dihydro-pyridine synthesis from 4-hy-droxy-benzaldehyde, methyl acetoacetate and NH(4)HCO(3). In the mol-ecular structure of the title compound, the dihydro-pyridine ring adopts a flattened boat conformation and the plane of the base of the boat forms a dihedral angle of 80.8 (2)° with the aromatic six-membered ring. The packing is stabilized by strong inter-molecular N-H⋯O(carbon-yl), O(hydrox-y)-H⋯O(carbon-yl) and weak intra-molecular C-H⋯O hydrogen bonds.

摘要

标题分子C(17)H(19)NO(5)是通过由4-羟基苯甲醛、乙酰乙酸甲酯和NH(4)HCO(3)进行汉茨希二氢吡啶合成制备的。在标题化合物的分子结构中，二氢吡啶环呈扁平船式构象，船底平面与芳香六元环形成80.8 (2)°的二面角。堆积通过强分子间N-H⋯O(羰基)、O(羟基)-H⋯O(羰基)和弱分子内C-H⋯O氢键得以稳定。

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