七配位二聚体配合物{(PhCH_2)_2Sn·[2,6-(O_2C)_2C_5H_3N](CH_3OH)}_2的合成及结构

Synthesis and Structure of Seven-coordinate Dimer {(PhCH_2)_2Sn[2,6-(O_2C)_2C_5H_3N](CH_3OH)}_2

在三乙胺存在下利用三苄基氯化锡和 2 ,6 -吡啶二甲酸 ,以 1∶ 1摩尔比反应 ,合成了七配位二聚体{ ( Ph CH2 ) 2 Sn[2 ,6 -( O2 C) 2 C5H3 N]( CH3 OH) } 2 .通过元素分析、红外光谱和核磁共振氢谱对其结构进行了表征 .用 X射线单晶衍射法测定了该化合物的晶体结构 .化合物为三斜晶系 ,P1空间群 ,晶胞参数 a=0 .96 2 5 ( 6 ) nm,b=1 .0 94 7( 9) nm,c=1 .996 ( 3) nm,α=90 .0 0 ( 2 )°,β=87.6 9( 3)°,γ=90 .0 0 ( 3)°,Z=2 ,V=2 .1 0 2 ( 6 ) nm3 ,μ=1 .2 4 8mm- 1 ,F( 0 0 0 ) =1 0 0 0 ,R1 =0 .0 4 76 ,w R2 =0 .0 782 .化合物中 2个锡原子呈七配位畸变五角双锥构型 .生物活性测试结果表明 ,该化合物具有较强的体外抗肿瘤活性 .

A novel seven-coordinate dimer {(PhCH 2) 2Sn[2,6-(O 2C) 2C 5H 3N](CH 3OH)} 2was synthesized by the reaction of(PhCH 2) 3SnCl with 2,6-pyridine dicarboxylic acid in 1∶1 molar ratio in methanol with Et 3N. The structure of the dimmer was characterized by elemental analysis, IR, 1H NMR, and X-ray single crystal diffraction. The crystal belongs to a triclinic system with space group P1, a=0\^962 5(6) nm, b=1\^094 7(9) nm, c=1\^996(3) nm, α=90\^00(2)°, β=87\^69(3)°, γ=90\^00(3)°, Z=2, V=\{2\^102(6)\} nm 3, μ=1\^248 mm -1, F(000)=1 000, R 1=0\^047 6, wR 2= 0\^078 2. In the crystals of complex, the tin atoms rendered seven-coordinate in a distorted pengonal bipyramidal structure. The complex was tested in vitro against human tumour cell lines, MCF-7 and WiDr, and displayed a higher activity.