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标题化合物晶体属于单斜晶系,空间群为P2_1/a。晶胞参数:a=8.524(3),b=16.962(1),c=13.744(1),β=98.05(1)~,V=1967.4(10)~3,D_=1.821g/cm~3,z=4。测定结果证实双希夫碱C_(21)H_(17)ClN_2O_3在Cu(Ⅱ)离子的催化下,不仅分子构型发生了变化,而且出现了一个新的反应,即在生成双核铜(Ⅱ)配合物的同时,双希夫碱分子中的2-甲氧基被转化成羟基,得到稳定的平面型双核铜(Ⅱ)配合物[Cu_2(C_(20)H_(12)ClN_2O_3)OH]·2H_2O。根据简单的EHMO计算,对所得到的结果作了适当的说明。
The title compound crystallizes in the monoclinic space group P2_1 / a. Cell parameters: a = 8.524 (3) , b = 16.962 (1) , c = 13.744 (1) , β = 98.05 (1) ~ , V = 1967.4 (10) 1.821g / cm ~ 3, z = 4. The results show that not only the molecular configuration of the bis (Schiff base) C_ (21) H_ (17) ClN_2O_3 catalyzed by Cu (Ⅱ) ion changed but also a new reaction occurred. At the same time, the 2-methoxy group in the double Schiff base molecule was converted to hydroxyl group to obtain a stable planar dinuclear copper (Ⅱ) complex [Cu_2 (C_ (20) H_ (12) ClN_2O_3) OH] 2H_2O. Based on a simple EHMO calculation, the results obtained are properly described.