[(DMPZM)HgI_2]的合成与晶体结构(DMPZM=双(3,5-二甲基吡唑)甲烷)

Synthesis and crystal structure of [(DMPZM)HgI_2] (DMPZM=bis(3,5-dimethylpyrazol-1-yl)methane)

在乙腈中,双(3,5-二甲基吡唑)甲烷(DMPZM)与HgI2反应得到化合物[(DMPZM)HgI2](1),该化合物通过熔点、元素分析、核磁、红外光谱等表征.X射线衍射法测得该晶体属于单斜晶系,空间群为P21/c,晶胞参数:a=1.2219(3)nm,b=1.4756(4)nm,c=0.9540(2)nm,β=100.309(5)°,V=1.692 4(6)nm3,C11H16-HgI2N4,Mr=658.67,Dc=2.585g/cm3,Z=4,F(000)=1184,R1=0.0474,wR2=0.0991,S=0.0474.汞原子与DMPZM中的2个氮原子和2个碘原子配位,形成扭曲的四面体结构.Hg—N、Hg—I平均键长分别为0.204 7nm、0.267 0nm.

Reaction of DMPZM and HgI2 in CH3 CN afforded the complex [ （DMPZM） HgI2 ] （1）. Compound 1 was characterized by melting point determination, elemental analysis, 1H NMR and IR spectra. The crystal structure of 1 was determined by single-crystal X-ray diffraction analysis. The crystal belongs to orthorhombic, space group P21/c with a=1.2219（3）nm,b=1.4756（4）nm,c=0.9540（2）nm,β=100.309（5）°,V=1.6924（6）nm3,C11H16HgI2N4,Mr=658.67,Dc=2.585g/cm3,Z=4,F（000）=1184,R1=0.0474,ωR2=0.0991,S=0.0474. Each Hg atom is coordinated by two I and two N atoms of the DMPZM group, forming a distorted tetrahedral coordination geometry. The Hg-N and Hg-I distance are 0. 204 7 nm,0. 267 0 nm,respectively.