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Synthesis, Characterization, and Crystal Structure of 1,3‐Dipentafluorophenyl‐2,2,2,4,4,4‐hexazido‐1,3‐diaza‐2,4‐diphosphetidine
Author(s) -
Aubauer Christoph,
Karaghiosoff Konstatin,
Klapötke Thomas M.,
Kramer Gernot,
Schulz Axel,
Weigand Jan
Publication year - 2001
Publication title -
zeitschrift für anorganische und allgemeine chemie
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.354
H-Index - 66
eISSN - 1521-3749
pISSN - 0044-2313
DOI - 10.1002/1521-3749(200111)627:11<2547::aid-zaac2547>3.0.co;2-e
Subject(s) - monoclinic crystal system , crystallography , crystal structure , chemistry , azide , aryl , infrared spectroscopy , nuclear magnetic resonance spectroscopy , substituent , stereochemistry , organic chemistry , alkyl
1,3‐Dipentafluorophenyl‐2,2,2,4,4,4‐hexazido‐1,3‐diaza‐2,4‐diphosphetidine ( 1 ) was synthesized by the reaction of [(C 6 F 5 )NPCl 3 ] 2 with trimethylsilyl azide in CH 2 Cl 2 and characterized by multinuclear NMR and vibrational spectroscopy. The molecular structure of the compound was determined by single‐crystal X‐ray structure analysis. [(C 6 F 5 )NP(N 3 ) 3 ] 2 crystallizes in the monoclinic space group P 2 1 / n with a = 9.6414(2), b = 7.4170(1) and c = 15.9447(4) Å, β = 94.4374(9)°, with 2 formula units per unit cell. The bond situation in [(C 6 F 5 )NP(N 3 ) 3 ] 2 has been studied on the basis of NBO analysis. The antisymmetric stretching vibration of the azide groups 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 state depending on the aryl substituent at the nitrogen atom is discussed.