2,6 - 二甲基 - 4 -（3 - 苯基 - 1H - 吡唑 - 4 - 基）- 1,4 - 二氢吡啶 - 3,5 - 二甲酸二甲酯
Dimethyl 2,6-dimethyl-4-(3-phenyl-1H-pyrazol-4-yl)-1,4-dihydro-pyridine-3,5-dicarboxyl-ate.
作者信息
Fun Hoong-Kun, Arshad Suhana, Malladi Shridhar, Shivananda Kammasandra Nanjunda, Isloor Arun M
出版信息
Acta Crystallogr Sect E Struct Rep Online. 2012 Apr 1;68(Pt 4):o922-3. doi: 10.1107/S1600536812008306. Epub 2012 Mar 3.
In the title compound, C(20)H(21)N(3)O(4), the 1,4-dihydro-pyridine ring adopts a boat conformation. An intra-molecular C-H⋯O hydrogen bond generates an S(6) ring motif. The pyrazole ring makes dihedral angles of 87.81 (7) and 45.09 (7)° with the mean plane of the 1,4-dihydro-pyridine ring and the phenyl ring, respectively. In the crystal, mol-ecules are linked by N-H⋯N, N-H⋯O and C-H⋯O hydrogen bonds into a three-dimensional network.
在标题化合物C₂₀H₂₁N₃O₄中，1,4 - 二氢吡啶环呈船式构象。分子内C—H⋯O氢键形成一个S(6)环模式。吡唑环与1,4 - 二氢吡啶环的平均平面和苯环的二面角分别为87.81 (7)°和45.09 (7)°。在晶体中，分子通过N—H⋯N、N—H⋯O和C—H⋯O氢键连接成三维网络。
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