Journal of Structural Chemistry

, Volume 54, Issue 3, pp 592–597 | Cite as

Crystal structure of bis-Isonicotinoyl hydrazone of 2,5-diformylpyrrole

  • L. D. Popov
  • S. I. Levchenkov
  • I. N. Shcherbakov
  • M. A. Kiskin
  • N. E. Borisova
  • A. A. Tsaturyan
  • V. A. Kogan
Article

Abstract

bis-Isonicotinoyl hydrazone of 2,5-diformylpyrrole existing in the crystal in the form of a tetrahydrate of the hydrazone tautomeric form is synthesized and its structure is described. In the crystal, an infinite three-dimensional network of hydrogen bonds is formed by hydrazone molecules. The neighboring hydrazone molecules are bonded by intermolecular π stacking interactions. A quantum chemical calculation of the geometry and total energy of possible tautomers in vacuum and an aqueous solution is performed.

Keywords

hydrazones single crystal X-ray diffraction study 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
  • M. A. Kiskin
    • 3
  • N. E. Borisova
    • 4
  • A. A. Tsaturyan
    • 1
  • V. A. Kogan
    • 1
  1. 1.Southern Federal UniversityRostov-on-DonRussia
  2. 2.Southern Scientific CenterRostov-on-DonRussia
  3. 3.N. S. Kurnakov Institute of General and Inorganic ChemistryRussian Academy of SciencesMoscowRussia
  4. 4.Moscow State UniversityMoscowRussia

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