Synthesis, characterization, and crystal structure of 1,3-dipentafluorophenyl-2,2,2,4,4,4-hexazido-1,3-diaza-2,4-diphosphetidine

1.3-Dipentafluorophenyl-2,2 2,4,4,4-hexazido-1,3diaza-2,4-diphosphetidine ( 1) was synthesized by the reaction Of [(C6F5)NPCl3](2) with trimethylsilyl azide in CH2Cl2 and characterized by multinuclear NMR and vibrational spect roscopy. The molecular structure of the compound was determined by single-c rystal X-ray structure analysis. [(C6F5)NP(N-3)(3)](2) crystallizes in the monoclinic space group P2(1)/n with a = 9.6414(2), b = 7.4170(1) and c = 15 .9447(4) Angstrom. beta = 94.4374(9)degrees, with 2 formula units per unit cell. The bond situation in [(C6F5)NP(N-3)(3)](2) has been studied on the b asis of NBO analysis. The antisymmetric stretching vibration of the azide g roups is discussed. The structural diversity of 1 and 1.3-diphenyl-2,2,2,4, 4,4-hexazido-1,3-diaza-2..4-diphosphetidine in solution and in the solid st ate depending on the aryl substituent at the nitrogen atom is discussed.