Synthesis and Structural Characterization of N-Amino Compounds

摘要

Seven N-amino compounds were successfully synthesized via N-amination reaction. The structures of target compounds and intermediates were characterized by ~1H NMR, ~(13)C 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-l ,2,4-triazole were obtained. Crystal data of 3,5-diamino-1,2,4-triazole: C2H5N5, Mr=99.11, Monoclinic, P2( l)/c, a = 10.652(4), b = 4.3411( 14), c = 10.822(4) A a = 90(4), p = 118.714(4), 7 = 90°, V = 0.4389(2) nMZ = 4, Dc =1 500 g cm~(-3), u = 0.113 mm~(-1), F(000) = 208, R = 0.0354 and wR = 0.0936. Crystal data of 3,5-dinitro-l ,2,4-triazole: C2H3N505, Mt = 177.09,Orthorhombic, P2( 1)2(1)2(1), a = 4.937(3). b = 9.344(5), c = 140447(7) A, a = 90, p = 90, y = 90°, V = 0.6665(6) nnvZ = 4, Dc-1.765 g cm~(-1), u = 0.171 mm~(-1), F(000) = 360, R = 0.0555 and wR = 0.1772.