新型三环己基锡羧酸酯的合成和晶体结构

以苯做溶剂,以2,5-二羧基-1,4-苯二甲酸二乙酯为配体,与三环己基氢氧化锡进行脱水反应,合成了新型三环己基锡羧酸酯配合物1.采用元素分析、1H NMR、红外光谱及X射线衍射等手段对其进行了结构表征,结果表明:配合物1为三方晶系,空间群为R3,a=b=3.039 4(4) nm,c=1.5637(2) nm,α=β=90°,γ=120°,V=12.510(3) nm3,z=9,D(,)=1.248 g/cm3,μ=9.43 nm-1,F(000)=4 878,R1=0.045 2,ωR2=0.090 7.配合物1是Sn原子化学环境相同的对称结构,Sn原子与3个环己基碳原子和1个羧基氧原子成键,中心Sn原子为畸变四面体构型.分子间的O→ Sn(0.3172 nm)配位作用,形成三维网状堆积结构.

Synthesis and crystal structure of the novel tricyclohexyltin carboxylate

Under the solvent of benzene,the new tricyclohexyltin carboxylate 1 was synthesized by the reaction of 2,5-dicarboxyl-1,4-diethylphthalate with tricyclohexylhydroxytin.The complex 1 was characterized by X-ray single crystal diffraction,1H NMR,elemental analysis and IR.The crystal belong to the trigonal crystal system with space group R3,a=b=3.039 4(4) nm,c=1.563 7(2) nm,α=β=90°,γ=120°,V=12.510(3) nm3,z= 9,Dc=1.248 g/cm3,μ=9.43 nm-1,F(000)=4 878,R1=0.045 2,wR2=0.090 7.The complex 1 is a symmetrical structure in which two tin atoms are four-coordinated in a distorted tetrahedral geometry under same chemical environment.Packing structure of the complex 1 was formed 3D network structure by the intermolecular O→Sn(0.317 2 nm).