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Molecular and crystal structure of polycyclic nitramines

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Abstract

An X-ray structural investigation has been carried out for four polycyclic nitramines with an isowurtzitane structure. These compounds are high-density, high-energy materials: 4,10-dinitro-2,6,8,12-tetraoxa-4,10-diaza-tetracyclo(5.5.0.03,11.05,9)dodecane (4), 4,8,10,12-tetranitro-2,6-dioxa-4,8,10,12-tetrazatetracyclo (5.5.0.03,11.05,9)dodecane (5), and 4,6,10,12-tetranitro-2,8-dioxa-4,6,10,12-tetrazatetracyclo(5.5.0.03,11.05,9)-dodecane (6). Nitramine 5 crystallizes as triclinic (form α, d calc = 1.966 g/cm3) and trigonal (form β, d calc = 2.014 g/cm3) modifications. All amine nitrogen atoms have a nonplanar structure; the mean sum of bond angles of the six-membered cycles is 345.2°, and the corresponding mean value for the five-membered cycles is 337.6°. Other features of their intramolecular structure are also discussed.

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Authors and Affiliations

  1. N. N. Vorozhtsov Novosibirsk Institute of Organic Chemistry, Siberian Division, Russian Academy of Sciences, Novosibirsk

    Yu. V. Gatilov & T. V. Rybalova

  2. Institute of Chemical and Energy Technologies, Siberian Division, Russian Academy of Sciences, Biysk

    O. A. Efimov, A. A. Lobanova, G. V. Sakovich & S. V. Sysolyatin

Authors
  1. Yu. V. Gatilov
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  2. T. V. Rybalova
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  3. O. A. Efimov
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  4. A. A. Lobanova
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  5. G. V. Sakovich
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  6. S. V. Sysolyatin
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Original Russian Text Copyright © 2005 by Yu. V. Gatilov, T. V. Rybalova, O. A. Efimov, A. A. Lobanova, G. V. Sakovich, and S. V. Sysolyatin

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Translated from Zhurnal Strukturnoi Khimii, Vol. 46, No. 3, pp. 579–584, May–June, 2005.

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Gatilov, Y.V., Rybalova, T.V., Efimov, O.A. et al. Molecular and crystal structure of polycyclic nitramines. J Struct Chem 46, 566–571 (2005). https://doi.org/10.1007/s10947-006-0141-y

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  • DOI: https://doi.org/10.1007/s10947-006-0141-y

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