4-[2-(4-甲氧基苯基)-1H-吡唑-3-基]-2,6-二甲基-1,4-二氢吡啶-3,5-二羧酸二乙酯
Diethyl 4-[2-(4-meth-oxy-phen-yl)-1H-pyrazol-3-yl]-2,6-dimethyl-1,4-dihydro-pyridine-3,5-dicarboxyl-ate.
作者信息
Fun Hoong-Kun, Hemamalini Madhukar, Vijesh A M, Isloor A M, Malladi Shridhar
出版信息
Acta Crystallogr Sect E Struct Rep Online. 2011 Jun 1;67(Pt 6):o1417-8. doi: 10.1107/S1600536811017600. Epub 2011 May 14.
Abstract
In the title compound, C(23)H(27)N(3)O(5), the pyrazole ring is inclined at dihedral angles of 38.16 (6) and 80.80 (6)°, respectively, to the least-squares planes of the benzene and dihydro-pyridine rings. In the crystal, adjacent mol-ecules are linked via a pair of N-H⋯N hydrogen bonds, forming an inversion dimer. The dimers are stacked in a column along the a axis through N-H⋯O hydrogen bonds. Intra- and inter-molecular C-H⋯N and C-H⋯O hydrogen bonds are also observed.
摘要
在标题化合物C₂₃H₂₇N₃O₅中，吡唑环分别与苯环和二氢吡啶环的最小二乘平面呈38.16（6）°和80.80（6）°的二面角倾斜。在晶体中，相邻分子通过一对N—H⋯N氢键相连，形成一个反演二聚体。这些二聚体通过N—H⋯O氢键沿a轴堆积成一列。还观察到分子内和分子间的C—H⋯N和C—H⋯O氢键。
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