通过 1 ,2 ,4-三唑 - 5 -酮 ( NTO)水溶液与氨水反应制备了标题化合物 ,其结构用 X-射线单晶结构分析法测定。晶体属正交晶系 ,空间群为 P2 1 2 1 2 1。所得晶体学参数为 a=0 .6 2 88( 2 ) nm,b=0 .8330 ( 2 ) nm,c=1 .2 92 0 ( 3) nm;V= 0 .6 6 4 8( 3) nm3,Z=4。分子中含有一个结晶水 ,晶体结构中存在大量氢键 ,增加了整个结构的稳定性。 The title compound was prepared by reaction of 1, 2, 4-triazol-5-one (NTO) in water with aqueous ammonia and the structure was determined by X-ray single crystal structure analysis. The crystal is orthorhombic with space group P2 1 2 1 2 1. The obtained crystallographic parameters are a = 0.6288 (2) nm, b = 0.8330 (2) nm, c = 1.292 0 (3) nm; nm3, Z = 4. The molecule contains a crystal of water, a large number of hydrogen bonds in the crystal structure, increasing the stability of the entire structure.