Zn(C_(13)H_(12)N_2S)Cl_2结构的测定

Structural Determination of Zn (C_(13)H_(12)N_2S)Cl_2

氯化锌与α-硫替皮考林邻甲基苯胺在乙醇介质中反应合成Zn(C_(13)H_(12)N_2S)Cl_2利用单晶x-射线衍射测定了络合物的结构。晶体为斜方晶系,空间群,P2_12_12,a=0.7622(3),b=2.4722(1),C=0.7935(2)nm,V=1.4952(nm)~3,Z=4,Dcalc=1.615g/cm^3,使用1>2σ(Ⅰ)的1746个独立反射进行结构解和精修,最后偏离因子R=0.064,分行化合物的构,揭示Zn(Ⅱ)处于畸变的四面体配位环境,配体L的构型为反式硫替胺结构。

Complex Zn(C13H12N2S)Cl2 has been obtained by the reaction of ZnCl2 with α-thiopicolinanilide in alcohol solution. The structure was determined by x-ray diffraction The crystal is orthorhombic, space group p21212. It contains 4 molecules in the unit cell with parameters,, α=0.7622(3), b=2.4722(1), C=0.7935(2)nm, v=1.4952(nm)3, Dcalc. =1.615 9/cm3 at 20℃. A unique data set of 1748 reflections having I>2σ(I)was used for determining and refining the structure. The convergence was reached at R=0.064. The crystal consists of discrete isolated molecules, The Zn atom is located in tetrahedral coordination, The configuration of the ligand L is trans-thioamide similar to that in Cu(C12H9N2S)2.