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4,4´ Bis(nitramino)azofurazan 2 was obtained by nitration of 4,4 diaminoazofurazan 1. Molecular and crystal structure of nitramine 2 and its ammonium salt 3 were studied by X ray method and quantum chemical calculations at M052X/aug cc pvdz level of theory. Both com pounds adopt ap ap ap conformation. It was shown that the structure of furazan cycle signifi cantly depends on the nature of the substituents at carbon atoms. Crystal structures of 2 and 3 are characterized by sufficiently high density (1.996 and 1.832 g cm -3 at 110K and 1.919 and 1.766 g cm -3 at 295 K, respectively), which is provided, in particular, by strong intermolecular hydrogen bonding and π-π stacking interactions. Among substituted azofurazans and primary nitramines examined by X ray diffraction analysis, 4,4´ bis(nitramino)azofurazan 2 is charac terized by the highest density.

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