Russian Chemical Bulletin

, Volume 54, Issue 4, pp 924–932 | Cite as

Nature of weak inter- and intramolecular interactions in crystals 4. Bifurcated N—H...N bond in a crystal of 3-amino-6-(3,5-dimethylpyrazol-1-yl)-1,2,4,5-tetrazine

  • K. A. Lyssenko
  • D. V. Lyubetsky
  • A. B. Sheremetev
  • M. Yu. Antipin


The nature and the energy of the intermolecular bifurcated N—H...N hydrogen bond in the crystal of 3-amino-6-(3,5-dimethylpyrazol-1-yl)-1,2,4,5-tetrazine were studied by analyzing the electron density distribution based on X-ray diffraction data. In contrast to two-center hydrogen bonds, the total energy of the N—H...N interaction is virtually independent of the geometric parameters of two contacts and is determined only by the nature of the interacting atoms.

Key words

tetrazines bifurcated H bonds stacking interaction electron density distribution topological theory of Atoms in Molecules X-ray diffraction 


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Copyright information

© Springer Science+Business Media, Inc. 2005

Authors and Affiliations

  • K. A. Lyssenko
    • 1
  • D. V. Lyubetsky
    • 1
  • A. B. Sheremetev
    • 2
  • M. Yu. Antipin
    • 1
  1. 1.A. N. Nesmeyanov Institute of Organoelement CompoundsRussian Academy of SciencesMoscowRussian Federation
  2. 2.N. D. Zelinsky Institute of Organic ChemistryRussian Academy of SciencesMoscowRussian Federation

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