基于4-(1H-1,2,4-三氮唑)苯甲酸的Zn(Ⅱ)配合物的合成及晶体结构

Synthesis and Crystal Structure of one Novel Zn(Ⅱ) Complex based on 4-(1H-1,2,4-triazol-1-yl) Benzoic Acid

以4-(1H-1,2,4-三氮唑)苯甲酸(HL)为配体合成了新型配合物[ZnL_2(H_2O)_4](1),并用红外光谱、元素分析和X射线单晶衍射进行了表征.单晶结构分析表明:该配合物属三斜晶系,P-1空间群,晶胞参数:a=0.615 60(5)nm,b=0.698 49(6)nm,c=1.209 01(11)nm,$=80.649 0(10)°,β=87.959(2)°,%=72.057 0(10)°,V=0.487 95(7)nm^3.配合物中Zn(II)与来自于两个4-(1H-1,2,4-三氮唑)苯甲酸根的两个N原子以及四个配位水分子的O原子配位,处于变形八面体环境中;配合物1通过分子间氢键形成三维超分子结构.

One novel Zn（II）complex,[ZnL2（H2O）4]（1）（HL=4-（1H-1,2,4-triazol-1-yl）benzoic acid）was synthesized under hydrothermal condition and structurally characterized by FT-IR,elemental analysis and single-crystal X-ray diffraction.The singlecrystal X-ray diffraction analysis suggests that complex 1crystallizes in triclinic,space group P-1 with a=0.61560（5）nm,b=0.69849（6）nm,c=1.20901（11）nm,$=80.6490（10）°,β=87.959（2）°,%=72.0570（10）°and V=0.48795（7）nm3.The Zn（II）ion is bound to two nitrogen atoms from two L-anions and four oxygen atoms from four water molecules,locating in a distorted octahedral geometry.Furthermore,three-dimensional supramolecular architecture is formed by intermolecular hydrogen bonding interactions.