Synthesis and Crystal Structure of 3-Methyl-4-phenyl-5-(2-pyridyl)-1,2,4-triazole
作者:Chunyi Liu、Zuoxiang Wang、Hailian Xiao、Yan Lan、Xiaomin Li、Songpei Wang、Jie Tang、Zhengping Chen
DOI:10.1007/s10870-009-9583-3
日期:2009.12
The title compound, 3-methyl-4-phenyl-5-(2-pyridyl)-1,2,4-triazole was synthesized by reaction of diphenylphosphazoanilide with N-acetyl-N′-(2-pyridoyl)hydrazine. Crystals suitable for X-ray analysis were obtained from a mixed solution of water and ethanol in a one-to-one volume ratio. The crystal is orthorhombic, space group P212121 with crystallographic parameters: a = 19.414(4) Å, b = 17.172(3) Å, c = 7.4850(15) Å, β = 90.00°, μ = 0.079 mm−1, V = 2495.3(8) Å3, Z = 8, Dc = 1.258 g/cm3, F(000) = 992, T = 295(2) K. The X-ray results showed that in the crystal structure of the title compound, the 1,2,4-triazole, pyridine and benzene rings are not coplanar. The title compound was synthesized by reaction of diphenylphosphazoanilide with N-acetyl-N′-(2-pyridoyl)hydrazine, and the crystal structure shows that its three aromatic rings (1,2,4-triazole, pyridine and benzene rings) do not share a common plane.
标题化合物3-甲基-4-苯基-5-(2-吡啶基)-1,2,4-三唑是通过二苯基磷酰苯胺与N-乙酰基-N′-(2-吡啶基)肼反应合成的。从水和乙醇的混合溶液(体积比为1:1)中获得了适合X射线分析的晶体。晶体为正交晶系,空间群为P212121,晶体学参数为:a=19.414(4)Å,b=17.172(3)Å,c=7.4850(15)Å,β=90.00°,μ=0.079mm-1,V=2495.3(8)Å3,Z=8,Dc=1.258g/cm3,F(000)=992,T=295(2)K。X射线结果表明,在标题化合物的晶体结构中,1,2,4-三唑、吡啶和苯环不共面。标题化合物是通过二苯基磷酰苯胺与N-乙酰基-N′-(2-吡啶基)肼反应合成的,晶体结构显示其三个