二齿肼基硫代甲酸苄酯席夫碱锌配合物的合成、晶体结构和抗肿瘤活性

Synthesis,Crystal Structure and Antitumor Activities of Zinc(Ⅱ) Complex with Bidentate Schiff Base Derived from S-p-Chlorobenzyldithiocarbazate

以2,4-二氯苯甲醛缩肼基二硫代甲酸对氯苄酯为配体与锌盐反应合成了配合物Zn(L)2,L=2,4-二氯苯甲醛缩肼基二硫代甲酸对氯苄酯阴离子。通过元素分析和红外光谱对配合物进行了表征,并用X-射线单晶衍射测定了配合物的单晶结构。配合物属于单斜晶系,P21/n空间群,a=1.242 6(10)nm,b=1.024 4(11)nm,c=2.840 2(2)nm,β=101.740 0(10)°,Mr=842.81,V=3.539 7(5)nm3,Z=4,μ=1.412 mm-1,Dc=1.582 g.cm-3,F(000)=1 696,R1=0.039 0,wR2=0.086 2(观察衍射点)和R1=0.164 0,wR2=0.099 6(全部衍射点),Final GooF=1.015。在配合物的晶体结构中,中心锌离子与2个二齿席夫碱配体中的2个硫原子和2个氮原子形成四配位四面体构型。抗肿瘤活性实验采用了MTT比色法,初步研究表明配合物对人胃癌细胞增殖具有明显的抑制作用。

A tetrahedral zinc complex Zn（L）2,L=anionic form of S-p-chlorobenzyl-β-N-（2,4-dichlorobenzylidene）hydrazinecarbodithioate,has been prepared and characterized by elemental analysis,IR and single-crystal X-ray diffraction.The crystal data for the complex： Monoclinic,space group P21/n,a=1.242 6（10） nm,b=1.024 4（11） nm,c=2.840 2（2） nm,β=101.740 0（10）°,Mr=842.81,V=3.539 7（5） nm3,Z=4,μ=1.412 mm-1,Dc=1.582 g·cm-3,F（000）=1 696,R1=0.039 0,wR2=0.086 2（observed reflections with I2σ（I）） and R1=0.164 0,wR2=0.099 6（all reflections）,Final GooF=1.015.In the crystal structure,the zinc（Ⅱ） complex has a distorted tetrahedral geometry in which the zinc ion is four-coordinated by the nitrogen atoms and sulfur atoms from two Schiff base ligands respectively.The preliminary bioassay indicates that the zinc complex exhibit distinct inhibitory activity against the human gastric cancer cell lines.CCDC： 829805.