Conclusions
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1.
X-ray diffraction structural analysis and quantum-chemical analysis of the two crystalline modifications of 1, 1, 1, 3, 5, 5, 5-heptanitro-3-azapentane showed that the less dense form has nonuniformity charged nitro groups, while the more dense modification is a metastable crystalline state, in which the molecule has a less twisted and less charged shape with a lesser extent of charge separation.
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2.
The interrelationship of the packing of heptanitroazapentane in the two modifications and the geometrical and electronic molecular structure was discussed.
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Translated from Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya No. 5, pp. 1023–1030, May, 1985.
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Atovmyan, L.O., Golovina, N.I., Eremenko, L.T. et al. Two modifications of 1,1,1,3,5,5,5-heptanitro-3-azapentane. Russ Chem Bull 34, 931–936 (1985). https://doi.org/10.1007/BF01142778
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DOI: https://doi.org/10.1007/BF01142778