{双[1-对甲氧基苯基-3-(1,2,4-三唑-1-基)丙酮]合锌}二氯化物的晶体结构及光谱特性

CRYSTAL STRUCTURE AND SPECTRAL CHARACTERS OF{ZINC BIS[1-(4-METHOXYPHENYL)-3-(1H-1,2,4-TRIAZOL-1-YL)-1-PROPANONE]} DICHORIDE COMPLEX

合成了{双[1-对甲氧基苯基-3-(1,2,4-三唑-1-基)丙酮]合锌}二氯化物,用IR、MS、1H NMR、UV-vis对产物进行了表征,并测定了其晶体结构,得知,该配合物属于单斜晶系,晶体类型为P-1空间群,晶胞参数:a边长=18.829(4)nm,b边长=5.959 8(12)nm,c边长=23.297(5)nm,α(b、c边夹角)=90°,β(a、c边夹角)=92.34(3)°,γ(a、b边夹角)=90°,晶胞体积V=2 612.1(9)nm3,晶胞内原子数z=4,晶体密度Dc=1.523 kg／m3。晶体配合物为C2对称,对称轴通过锌原子,锌原子与来自配体的两个氮原子配位并和两个氯原子化合,形成一个略变形的正四面体结构。晶体中存在分子间氢键使分子趋于稳定。

The title complex was synthesized and characterized by IR, MS, 1H NMR and UV-vis spec trometries. Its crystal structure was determined, the results showed that it is monoclinic and belongs to P-1 space group, a = 18. 829(4) nm,b = 5. 959 8(12) nm,c=23. 297(5) nm,α=90°,β=92. 34(3)°,γ=90°, V=2 612. 1(9) nm3, Z=4, Dc = 1. 523 kg/m3. It has C2 symmetry with the axis through Zn atom, and the zinc atom coordinats with two N atoms in the 1-(4-methoxyphenyl)-3-(1H-1, 2,4-tri azol-l-yl)-1-propanone ligands and combines with two C1 atoms, forming a slightly distorted tetrahedron. The intermolecular hydrogen bonds make the complex stable.