摘要
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 (C 15 H 16 NO 3)has been synthesized by reaction of benzaldehyde, ethyl acetoacetate, ammonium acetate, isopropylidene malonate under microwave irradiation and its structure was determined by single crystal X ray diffraction. The crystal is triclinic, space group P1 with a=7.870(2), b=9\^290(2), c=10.640(2),α=102.76(3)°,β=110.42(3)°,γ= 96.92(3)°, V=694.2(2) 3, Z=2, M r=258.30, D c =1.240g/cm 3, μ (Mo Kα )=0.086mm -1 , F (000)=276. The structure was solved by direct methods and refined by full matrix least squares method to the final R=0.0423, wR =0.1257. X ray analysis reveals that the dihedral angle between plane 1(C(11)～C(16)) and plane 2(C(21)～C(25) N) is 87.31°.\;
