标题化合物C1 7H1 9NO2 是由苯甲醛、5,5 二甲基 1 ,3 环己二酮、丙二酸亚异丙酯及醋酸铵在微波辐照下干反应而得。结构通过单晶X 射线衍射法确定 ,其晶体属于单斜晶系 ,空间群P2 1 /a ,a =7.52 4 (2 ) ,b =2 2 .483(3) ,c =9.2 73(2 ) ,β =1 1 3 0 4 (2 )°,V =1 44 3.7(5) 3,Mr=2 69.34,Dc=1 .2 39g/cm3,Z =4,μ(MoKα) =0 81cm- 1 ,F(0 0 0 ) =576,在 6 <2θ <51 0°范围内收集 2 994个独立衍射点 ,其中可观测衍射点 2 0 91个 [I >2 .50σ(I) ]。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 ,最后的偏离因子为R =0 .0 4 4 ,Rw=0 .0 58。在晶体结构中 ,O(3) -C(9) -C(4) -C(5) -N(1 )构成一个平面 ,该平面与苯环的二面角为 84.2 5° The title compound C1 7H1 9NO2 is derived from benzaldehyde, 5,5-dimethyl-1,3-cyclohexanedione, isopropylidene malonate and ammonium acetate under dry conditions. The structure was confirmed by single crystal X-ray diffraction. The crystal belongs to the monoclinic system with space group P2 1 / a, a = 7.52 4 (2), b = 2 2 .483 (3), c = 9.273 , β = 1 1 3 0 4 (2) °, V = 1 44 3.7 (5) 3, Mr = 2 69.34, Dc = 1.239g / cm 3, Z = 4, μ (MoKα) = 0 81cm -1 , F (0 0 0) = 576, 2 994 independent diffraction points were collected in the range of 6 <2θ <51 0 °, of which 2 0 91 [I> 2.50 σ (I)] were observed. The crystal structure is solved by the direct method, and the atomic parameters are corrected by full matrix least squares method. The final deviation factor is R = 0 .04 4, Rw = 0. In the crystal structure, O (3) -C (9) -C (4) -C (5) -N (1) forms a plane with a dihedral angle of 84.2 5 °