Journal of Structural Chemistry

, Volume 55, Issue 3, pp 475–480

Crystal structure of a trinuclear complex of zinc(II) with 2,6-Di-tert-butyl-p-quinone 1′-phthalazinylhydrazone

  • A. E. Gol’dberg
  • M. A. Kiskin
  • L. D. Popov
  • S. I. Levchenkov
  • I. N. Shcherbakov
  • Yu. P. Tupolova
  • V. A. Kogan
Article

DOI: 10.1134/S0022476614030123

Cite this article as:
Gol’dberg, A.E., Kiskin, M.A., Popov, L.D. et al. J Struct Chem (2014) 55: 475. doi:10.1134/S0022476614030123
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Abstract

2,6-Di-tert-butyl-p-quinone 1′-phthalazynylhydrazone (HL) is synthesized; the total energies and geometry of the possible hydrazone tautomeric forms are calculated by quantum chemical methods. The hydrazone phthalazone tautomer is shown to be the most stable, which is well consistent with the 1H NMR spectroscopic data for hydrazone. An X-ray crystallographic analysis is performed of the hydrazone-based Zn(II) trinuclear complex, in which zinc atoms are linked by the diazine bridge of the phthalazine cycle and two pivalate bridges. The geometric properties of the monodeprotonated hydrazone residue in the complex are similar to the calculated data for the phthalazone hydrazone tautomeric form.

Keywords

hydrazones tautomerism 1-hydrazine phtalazine zinc(II) complex X-ray crystallography density functional theory 

Copyright information

© Pleiades Publishing, Ltd. 2014

Authors and Affiliations

  • A. E. Gol’dberg
    • 1
  • M. A. Kiskin
    • 1
  • L. D. Popov
    • 2
  • S. I. Levchenkov
    • 3
  • I. N. Shcherbakov
    • 2
  • Yu. P. Tupolova
    • 2
  • V. A. Kogan
    • 2
  1. 1.Kurnakov Institute of General and Inorganic ChemistryRussian Academy of SciencesMoscowRussia
  2. 2.Southern Scientific CenterRussian Academy of SciencesRostov-on-DonRussia
  3. 3.Chemistry DepartmentSouthern Federal UniversityRostov-on-DonRussia

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