3,5-二苯基吡唑的合成与晶体结构

Synthesis and Crystal Structure of 3,5-diphenyl Pyrazole

合成了3,5-二苯基吡唑,通过了元素分析、红外光谱和核磁共振氢谱对其结构进行了表征.用X-射线单晶衍射测定了该化合物的晶体和分子结构.化合物晶体为单斜晶系,空间群C2/c,晶胞参数a=16.942(2),b=17.153(2),c=17.658(2),α=90°,β=109.600(2)°,γ=90°,Z=16,V=4834.4(12)3,Dc=1.555g/cm3,μ=0.073mm-1,F(000)=868,差值电子密度最高和最低峰为147和-307e.nm-3.

3,5-Diphenyl pyrazole was synthesized with its crystal and molecular structure determined by X-ray singlecrystal diffraction method.A crystal of the said compound was monoclinic with a space group C2/c,a=16.942（2）,b=17.153（2）,c=17.658（2）,α=90°,β= 109.600（2）°,γ=90°,Z=16,V= 4834.4（12）3,Dc=1.555g/cm3,μ=0.073mm-1,F（000）=868.The summit value and minimum of difference of electron density were 147and-307e.nm-3 respectively.