Journal of Structural Chemistry

, Volume 54, Issue 3, pp 619–623

Crystal structure of the polycyclic oxidation product of 1′-phthalazinylhydrazone of 2-formylpyrrole

  • L. D. Popov
  • S. I. Levchenkov
  • I. N. Shcherbakov
  • G. G. Aleksandrov
  • Yu. P. Tupolova
  • V. V. Lukov
  • O. I. Askalepova
  • V. A. Kogan
Article

Abstract

Phthalazinylhydrazone of 2-formylpyrrole is synthesized, the values of ionization constants are determined, and quantum chemical calculation of the geometry and total energy of possible tautomers is performed. The structure of the cyclic oxidation product of hydrazone 3-(1H-pyrrolyl-2)-[1,2,4]-triazolo(3,4-a)phthalazine existing in the crystal in the form of dimers linked by two hydrogen bonds is described.

Keywords

hydrazones single crystal X-ray diffraction analysis hydrogen bond density functional theory 

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Copyright information

© Pleiades Publishing, Ltd. 2013

Authors and Affiliations

  • L. D. Popov
    • 1
  • S. I. Levchenkov
    • 2
  • I. N. Shcherbakov
    • 1
  • G. G. Aleksandrov
    • 3
  • Yu. P. Tupolova
    • 1
  • V. V. Lukov
    • 1
  • O. I. Askalepova
    • 1
  • V. A. Kogan
    • 1
  1. 1.Faculty of ChemistrySouthern Federal UniversityRostov-on-DonRussia
  2. 2.Southern Scientific CenterRussian Academy of SciencesRostov-on-DonRussia
  3. 3.N. S. Kurnakov Institute of General and Inorganic ChemistryRussian Academy of SciencesMoscowRussia

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