微波辐射下4-苯基-5-乙氧羰基-6-甲基-3,4-二氢吡啶-2-酮的合成和晶体结构

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标题化合物C1 5H1 6NO3由苯甲醛、醋酸铵、乙酰乙酸乙酯、麦氏酸在微波辐射下干反应而得。结构通过单晶X 射线衍射法测定 ,其晶体属单斜晶系 ,空间群P1 ,a =7.870 (1 ) ,b =9 2 90 (1 ) ,c=1 0 .640 (2 ) ,α =1 0 2 .76(3) ,β =1 1 0 .42 (3) ,γ =96.92 (3)°,V =694.2 (2 ) 3,Z =2 ,Mr=2 59.30 ,Dc=1 .2 4 0 g/cm3,μ(MoKα) =0 .0 86mm- 1 ,F(0 0 0 )=2 76。晶体结构用直接法解出 ,经用全矩阵最小二乘法对原子参数进行修正 ,最终的偏离因子为R =0 0 4 2 3,wR =0 .1 2 57。在晶体结构中 ,吡啶酮环与苯环之间的二面角为 87.31°。 The title compound C1 5H1 6NO3 was prepared by the dry reaction of benzaldehyde, ammonium acetate, ethyl acetoacetate and myristic acid under microwave irradiation. The structure was determined by single crystal X-ray diffraction. The crystal was monoclinic with space group P1, a = 7.870 (1), b = 9 2 90 (1), c = 1.0640 1 = 0.002 .76 (3), β = 1 1 0 .42 (3), γ = 96.92 (3) °, V = 694.2 (2) 3, Z = 2, Mr = 2 59.30, Dc = 1 .2 4 0 g / cm3, μ (MoKα) = 0.086 mm-1, F (0 0 0) = 2 76. The crystal structure is solved by the direct method, and the atomic parameters are corrected by full matrix least square method. The final deviation factor is R = 0 0 4 2 3, wR = 0. In the crystal structure, the dihedral angle between the pyridone ring and the benzene ring is 87.31 °.
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