二水合苹果酸铜配合物的合成、晶体结构及氢键组装

Synthesis,Crystal Structure and Hydrogen-Bond Assembly of Malic-Copper Complex with Two Water Molecules

合成并测定了二水合苹果酸铜配合物Cu·2[CH2(COO)CH(OH)COOH]·2H2O的分子和晶体结构,得其单晶.用X-射线衍射法测定了配合物的晶体结构,晶体属单斜晶系,P21/C空间群,a=0.8447(5)nm,b=0.7413(5)nm,c=1.0286(7)nm,β=102.6710(10)o,V=0.6285(7)nm3,μ=0.858mm-1,z=2,Dc=0.517Mg/m3,F(000)=97,λ(MoKα)=0.071073nm,最终偏离因子R1=0.0363,wR2=0.0961(单位权重).晶体分子配位中心Cu(II)离子的配位数为六,构成一稍扭曲的八面体.在晶体堆积中,氢键为主要驱动力.

The crystal of the title compound copper malic compound has been prepared and determined by the Xray single crystal diffraction. The crystal belongs to the monoclinic system, space group P21/C with parameters: a=0.844 7(5) nm,b=0.741 3(5) nm,c=1.028 6(7) nm,β= 102.671 0(10)o,V=0.628 5(7) nm3,μ=0.858 mm-1,z=2,Dc=0.517 Mg/m3,F(000)=97, λ(Mo Kα)=0.071 073 nm, final R1=0.036 3 and wR2=0.096 1 for 2 293 independent reflections. The copper ion center has a sixcoordinated distorted octahedral structure. In the crystal packing, hydrogen bond is the main force. 