2-(5-甲基-1,3,4-噻二唑)-硫乙酸镍(Ⅱ)配合物的合成和晶体结构

Syntheses and Crystal Structures of Nickel(Ⅱ) Coordination Compounds with 2-(5-methyl-1,3,4-thiadiazol-2-ylthio)acetic Acid

本文合成了2个镍配合物[Ni(mtyaa)2(H2O)4]·4(H2O)(1)和[Ni(4,4′-bipy)2(mtyaa)2(H2O)2]·2H2O(2)(Hmtyaa=2-(5-甲基-1,3,4-噻二唑)-硫乙酸;4,4′-bipy=4,4′-联吡啶),用X-射线单晶衍射仪测定了配合物的单晶结构,并对它进行了元素分析、红外光谱、热重和粉末X-射线衍射等表征。配合物1和2的晶体分别属于三斜晶系和单斜晶系,空间群分别为P1和P21/n。X-射线单晶结构分析表明配合物1和2中镍原子均采取六配位扭曲的八面体配位模式。在配合物1中配位水和游离水分子与羧基氧之间的氢键作用将单分子结构连成三维网状结构。配合物2中配位水和游离水分子与羧基氧以及配体中的氮原子之间的氢键作用将链连接成二维层状结构。

Two coordination compounds [Ni（mtyaa）2（H2O）4]·4（H2O） （1） and [Ni（4,4′-bipy）2（mtyaa）2（H2O）2]·2H2O （2） （Hmtyaa is 2-（5-methyl-1,3,4-thiadiazol-2-ylthio）acetic acid; 4,4′-bipy is 4,4′-bipyridine） have been synthesized and structurally characterized by single-crystal X-ray diffraction, elemental analysis, FTIR spectra, thermal analysis and powder X-ray diffraction. compounds 1 and 2 crystallize in the triclinic and monoclinic, space group is P1 and P21/n, respectively. Single-crystal X-ray diffraction analysis indicate that both nickel atoms adopt six-coordinated distorted octahedral coordination mode in compounds 1 and 2. Hydrogen bonds between coordinated and free water molecules with carboxylate oxygen atoms connected single molecules in compound 1 into three dimensional network. Compound 2 is connected into two dimensional layered structure by hydrogen bonds between coordinated and free water molecules with carboxylate oxygen atoms and nitrogen atoms.