三维超分子配合物Cu(2-mpac)Cl(H_2O)·H_2O的合成与结构

Synthesis and crystal structure of 3D supramolecular complex Cu(2-mpac)Cl(H_2O)·H_2O

以2-甲基-5-羧基吡嗪为配体合成了1个三维超分子配合物Cu(2-mpac)Cl(H2O).H2O(1)(2-mpac:2-甲基-5-羧基吡嗪),并利用元素分析、IR、X-射线单晶衍射及热重分析等手段对配合物(1)进行了结构表征.结果表明:配合物(1)属于三斜晶系,P-1空间群,P-1,a=3.8306(6),b=11.395 7(18),c=11.5596(18),α=111.321(2)°,β=96.282(2)°,γ=98.667(2)°,V=457.25(12)°3,Z=2,S=1.019,,最终残差因子(I>2σ(I))R1=0.0375,wR2=0.0945,对于全部数据R1=0.0423,wR2=0.0991.

A 3D supramolecular complex Cu（2-mpac）Cl（H2O）·H2O（1）（2-mpac：2-methylpyrazine-5-carboxylic acid） with 2-mpac as ligand had been prepared from aqueous solution and characterized by elemental analysis,IR,single crystal X-ray diffraction and TG analysis.The results showed that the 3D supramolecular complex（1） was triclinic,space group P-1,a = 3.830 6（6）,b = 11.395 7（18）,c = 11.559 6（18）,α = 111.321（2）°,β = 96.282（2）°,γ =98.667（2）°,V = 457.25（12）°3,Z = 2,S=1.019,final R indices（I2σ（I）） R1 = 0.037 5,wR2 = 0.094 5,for all reflections R1=0.042 3,wR2=0.099 1.