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, Mr = 99.11, Monoclinic, P2(1)/c, a = 10.652(4), b = 4.3411(14), c = 10.822(4) Å, a = 90(4), b = 118.714(4), g = 90°, 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, Mr = 177.09, Orthorhombic, P2(1)2(1)2(1), a = 4.937(3), b = 9.344(5), c = 140447(7) Å, a = 90, b = 90, g = 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.