Synthesis and structural characterization of N-amino compounds

Seven N-amino compounds were successfully synthesized via N-amination reaction. The structures of target compounds and intermediates were characterized by ¹H NMR, ¹³C NMR, IR, elementary analysis, MS and X-ray single-crystal diffraction analysis. The single crystals of 3,5-diamino-1,2,4-triazole and 3,5-dinitro-1,2,4-triazole were obtained. Crystal data of 3,5-diamino-1,2,4-triazole: C₂H₅N₅, M_r = 99.11, Monoclinic, P2(1)/c, a = 10.652(4), b = 4.3411(14), c = 10.822(4) Å, α = 90(4), β = 118.714(4), γ = 90deg;, V = 0.4389(2) nm³, Z = 4, Dc = 1.500 g cm^-3, μ = 0.113 mm^-1, F(000) = 208, R = 0.0354 and wR = 0.0936. Crystal data of 3,5-dinitro-1,2,4-triazole: C₂H₃N₅O₅, M_r = 177.09, Orthorhombic, P2(1)2(1)2(1), a = 4.937(3), b = 9.344(5), c = 140447(7) Å, α = 90, β = 90, γ = 90°, V = 0.6665(6) nm³, Z = 4, Dc = 1.765 g cm^-3, μ = 0.171 mm^-1, F(000) = 360, R = 0.0555 and wR = 0.1772.