摘要
通过3-硝基-1, 2, 4-三唑-5-酮(NTO)与碳酰肼(CHZ)反应制备NTO碳酰肼(carbohydrazide 3-nitro-1, 2, 4-triazol-5-one, 简称CHZNTO),并用X射线衍射、元素分析进行结构表征。该化合物的化学计量式为: C3H10N8O5,分子式为:(NH2NHCONHNH3)+(C2HN4O3)-H2O,属三斜晶系,P 空间群。晶体学参数为:a = 6.639 (1),b = 11.481(1),c = 13.692(2) 牛 = 70.56(1),b=88.19(1),?= 77.03(1),V = 958(2) ?,Z = 4,Dc = 1.651g/cm3,m(MoKa) = 0.150 mm-1,F(000) = 496,R=0.0315,wR = 0.0894。通过分析可知,CHZNTO是由1个CHZ阳离子和1个NTO阴离子组成的离子型化合物。
CHZNTO稨2O was prepared by mixing carbohydrazide(CHZ) and 3-nitro-1, 2, 4-triazol-5-one(NTO).The product was characterized by elemental analysis and IR measurement.The crystal structure was determined by single-crystal diffraction analysis.The crystal belongs to triclinic, space group P with a = 6.639(1),b = 11.481 (1),c = 13.692(2) 牛 = 70.56(1),b = 88.19(1),?= 77.03 (1),V = 958(2) ?,Z = 4,Dc = 1.651 g/cm3,m(MoKa) = 0.150 mm-1,F(000) = 496,R = 0.0315 and wR = 0.0894. It is concluded that CHZNTO is an ionic compound composed of one CHZ cation and one NTO anion according to the crystal structure.
