Synthesis and Crystal Structure of Nitrogen-rich Compound: 2,5,2 '-triazido-1,1 '-azo-1,3,4-triazole

摘要

The title compound 2,5,2'-triazido-1,1'-azo-1,3,4-triazole(2) has been synthesized by the reaction of 2,5,2'-trichloro-1,1'-azo-1,3,4-triazole(1) with sodium azide. Its crystal structure was determined by single- crystal X-ray diffraction. It crystallizes in triclinic, space group P-1 with a = 6.6604(13) angstrom, b = 6.7035(13) angstrom, c = 12.916 (3) angstrom, alpha = 98.13(3)degrees, beta = 95.56(3)degrees, gamma = 106.48 degrees V = 541.68(18) angstrom(3), Z = 2, C4HN17, Mr = 287.22, D-c = 1.761 g cm(-3), F(000) = 288 and mu(MoKa) = 0.140 mm(-1), the final R = 0.0553 and wR = 0.1541. X- ray analysis indicates a stronger delocalization of the azo pi bond along the hypothetical N-4 moiety within the title compound than those in(E)-1,2-bis(2,6-diazido-9-azabicyclo[3.3.1]nonan-9-yl) diazene.