Journal of Structural Chemistry

, Volume 54, Issue 3, pp 566–570

Crystal structure of potassium 2-thiobarbiturate

Article

DOI: 10.1134/S0022476613030141

Cite this article as:
Golovnev, N.N., Molokeev, M.S. & Belash, M.Y. J Struct Chem (2013) 54: 566. doi:10.1134/S0022476613030141

Abstract

The crystal and molecular structure of potassium thiobarbiturate C4H3KN2O2S (C4H4N2O2S-2-thiobarbituric acid, H2TBA) is determined. Crystallographic data for KHTBA are as follows: a = 11.2317(17) Å, b = 3.8687(6) Å, c = 14.557(2) Å, β = 97.448(4)°, V = 627.18(17) Å3, space group P2/c, Z = 4. Each potassium ion is linked with four oxygen atoms and two S atoms forming a distorted octahedron. N-H…O and C-H…S hydrogen bonds form a branched three-dimensional network. The structure is also stabilized by the π-π interaction of heterocyclic HTBA ions.

Keywords

crystal structure potassium thiobarbiturate hydrogen bonds π-π interaction 

Copyright information

© Pleiades Publishing, Ltd. 2013

Authors and Affiliations

  • N. N. Golovnev
    • 1
  • M. S. Molokeev
    • 2
  • M. Yu. Belash
    • 3
  1. 1.Siberian Federal UniversityKrasnoyarskRussia
  2. 2.L. V. Kirensky Institute of Physics, Siberian DivisionRussian Academy of SciencesKrasnoyarskRussia
  3. 3.Institute of Chemistry and Chemical Technology, Siberian DivisionRussian Academy of SciencesKrasnoyarskRussia

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