Synthesis and characterization of 5-amino-1-nitriminotetrazole and its salts

New nitrogen-rich energetic compound 5-amino- 1-nitriminotetrazole (2) and its ammonium (3), hydrazinium (4) salts have been prepared. Their structures were characterized and confirmed by ¹H NMR spectroscopy, IR spectroscopy, elemental analysis and ESI-MS, X-ray single-crystal diffraction. Compound 2 crystallizes in the orthorhombic Pna2(1) space group with unit cell parameters are a = 9.229 (2) Å, b = 5.5271(13) Å, c = 10.295(2) Å, V = 525.1(2) Å ³, Z = 4. Compound 3 crystallizes in the Monoclinic C2/c space group, its unit cell parameters are a = 25.932 (6) Å, b = 6.8844(15) Å, c = 14.006(3) Å, β = 102.052(3), V = 2445.3(10) Å ³, Z = 16. Compound 4 crystallizes in the Monoclinic P2(1)/c space group with unit cell parameters are a = 7.275(3) Å, b = 14.273(5) Å, c = 6.802(2) Å, β = 97.009(5) Å, V = 701.0(4) Å ³, Z = 4. Extensive hydrogen bonds of these compounds packed a 3D network. Finally, the influences of molecular structure on the properties of the new compounds were discussed.