Journal of Chemical Crystallography

, Volume 25, Issue 8, pp 459–462

Crystal and molecular structure of potassium 2-amino-6-sulfinato-purine monohydrate

  • Ernst Horn
  • Edward R. T. Tiekink

DOI: 10.1007/BF01665701

Cite this article as:
Horn, E. & Tiekink, E.R.T. J Chem Crystallogr (1995) 25: 459. doi:10.1007/BF01665701


The crystal and molecular structure of the title compound, K[C5H4N5O2S]H2O, has been determined at room temperature. The structure determination reveals that the negative charge on the anion is localised on the sulfinate group which results in significant rearrangement of π-electron density within the purine ring. The K+ cation exists in a N3O4 donor set which defines a distorted trigonal prismatic geometry. Crystals of K[C5H4N5O2S]H2O are triclinic with space group\(P\bar 1\) and unit cell dimensionsa=8.248(2),b=8.710(2),c=6.988(6) Å, α=99.87(4), β=102.84(5), and γ=78.35(2)°,Z=2.

Key Words

X-ray diffraction studies 6-thioguanine potassium salt 

Copyright information

© Plenum Publishing Corporation 1995

Authors and Affiliations

  • Ernst Horn
    • 1
  • Edward R. T. Tiekink
    • 1
  1. 1.Department of ChemistryThe University of AdelaideAdelaideAustralia

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