【摘要】 标题化合物C2 3H2 5O3Cl是由对氯苯甲醛与 5,5 二甲基 1 ,3环己二酮在乙二醇中反应而得。结构通过单晶X 射线衍射法测定 ,其晶体属于单斜晶系 ,空间群P2 1 /n ,a =6.0 4 8(1 ) ,b =1 9.543(3) ,c =1 7.42 0 (3) ,β =97.2 9(1 )° ,V =2 0 4 2 .2 (6) 3,Mr=384.90 ,Dc=1 2 52 g/cm3,Z =4,μ(MoKα) =2 .0 6cm- 1 ,F(0 0 0 ) =81 6。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 39,Rw=0 .0 4 7。X 射线衍射分析表明 :平面 1 (C(8) -C(9) -C(1 9) )与平面 2 (C(1 0 ) -C(1 1 ) -C(1 2 ) )之间的两面角为1 6.2 4° ;平面 1与平面 3(C(7) -C(8) -C(9) )之间的两面角为 1 77.37° ;平面 1与平面 4(C(1 )-C(5) -C(6) )之间的两面角为 98.2 1°;平面 2与平面 3之间的两面角为 1 61 .1 2° ;平面 2与平面 4之间的两面角为 81 .98°;平面 3与平面 4之间的两面角为 79.1 5°更多还原

【Abstract】 The title coumound (C 23 H 25 O 3Cl) has been synthesized by reaction of p chlorobenzaldehyde and 5,5 dimethyl 1,3 cyclohexanedionein ethyldiole and its structure was determined by single crystal X ray diffraction. The crystal is monoclinic, space group, P2 1/n, a=6.048(1), b=19\^543(3), c=17.420(3), β=97.29(1)°, V=2042.2(6) 3, M r=384.90, D c =1.252g/cm 3, Z=4, μ (Mo Kα )=2\^06cm -1 , F (000)=816. The structure was solved by direct methods ,and refined by full matrix least square method to a final R=0.039, R w =0.047. X ray analysis reveals that the dihedral angle plane 1(C(8)-C(9)-C(19)) and plane 2 is 16.24°, between plane 1 and plane 3 (C(7)-C(8)-C(9)) is 177\^37°, between plane 1 and plane 4 (C(1)-(5)-C(6)) is 161.12°, between plane 2 and plane 4 is 81\^98°, between plane 3 and plane 4 is 79\^15°.更多还原