1,4-二硝基咪唑的制备与晶体结构

摘要

1,4-Dinitroimidazole was prepared by two reaction stages with imidazole. Single crystals were grown at room temperature, the single crystal structure of 1,4-dinitroimidazole has been determined by single crystal X-ray diffraction analysis,the crystal is orthogonal,space group P2,2121, with crystal parameters of a =5. 832 3 (13) nm, b =9.562(2) nm,c= 10. 302(2) nm, V=574. 5(2) nm3, Z=4,Dc= 1.828 g/cm3,F(000) = 320.%以咪唑作为原料,经两步反应,得到1,4-二硝基咪唑,并于室温下培养出单晶.通过X射线单晶结构分析法测定其晶体结构.结果表明,晶体属于正交晶系,空间群为P212121,晶体学参数为:α=5.832 3(13) nm,b=9.562(2) nm,c=10.302(2) nm,V=574.5(2) nm3,Z =4,Dc=1.828 g/cm3,F(000)=320.