Synthesis and crystal structure of a nitrogen-rich compound: 3, 5-diazido-1, 2, 4-triazole

The compound of 3, 5-diazido-1, 2, 4-triazole was synthesized by the reaction of 2, 5, 2', 5'-tetrachloro-1, 1'-azo-1, 3, 4-triazole with sodium azide at 50°C. Its crystal structure was determined by single-crystal X-ray diffraction. It crystallizes in monoclinic, space group Cc with a=1.2124(2) nm, b=2.3424(5) nm, c=0.80474(16) nm, β=125.56(3)°, V=1.859 3(6) nm ³, Z=4, C ₂HN ₉, Mr=151.04, D _c=1.62 g/cm ³, F(000)=912 and μ(MoKa)=0.129 mm ^-1, the final R=0.0397 and wR=0.0874. X-ray analysis indicates a stronger intermolecular hydrogen bonding, leading to the formation of a trimmer, containing a nine-membered cyclic ring with graph-set R ₃ ³(9) in the compound.