Springer Nature is making SARS-CoV-2 and COVID-19 research free. View research | View latest news | Sign up for updates

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

  • 25 Accesses

  • 2 Citations

Abstract

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.

This is a preview of subscription content, log in to check access.

References

  1. 1.

    Cookson, P. D.; Tiekink, E. R. T.J. Chem. Soc., Dalton Trans. 1993, 259.

  2. 2.

    Cookson, P. D.; Tiekink, E. R. T.J. Cryst. Spectro. Res. 1993,23, 231.

  3. 3.

    Harker, C. S. W.; Tiekink, E. R. T.; Whitehouse, M. W.Inorg. Chim. Acta. 1991,181, 23.

  4. 4.

    Cookson, P. D.; Tiekink, E. R. T.; Whitehouse, M. W.Aust. J. Chem. 1994,47, 577.

  5. 5.

    Arizti, M. P.; Garcia-Orad, A.; Sommer, F.; Silvestro, L.; Massiot, P.; Chevallier, P.; Gutiérrez-Zorrilla, J. M.; Colacio, E.; Martinez de Pancorbo, M.; Tapiero, H.Anticancer Res. 1991,11, 625.

  6. 6.

    Tiekink, E. R. T.; Cookson, P. D.; Linahan, B. M.; Webster, L. K.Metal-Based Drugs 1994,1, 299.

  7. 7.

    teXsan,Single crystal structure analysis software. Version 1.6.1993, Molecular Structure Corporation: The Woodlands, TX.

  8. 8.

    Johnson, C. K. ORTEPII, ORNL Report 5138; Oak Ridge National Laboratory: TN, 1976.

  9. 9.

    McCormack, J. J.; Johns, D. G. In: Cancer Chemotherapy: Principles and Practice, Chabner, B. A.; Collins, J. M., Eds.; Lippincott Company, PA,1990; Chapter 9.

  10. 10.

    Kraske, P. J.; Brajter-Toth, A.J. Electroanal. Chem. 1986,207, 101.

  11. 11.

    Bugg, C. E.; Thewalt, U.J. Am. Chem. Soc. 1970,92, 7441.

  12. 12.

    Sletten, E.; Sletten, J.; Jensen, L. H.Acta. Crystallogr. 1969, B25, 1330.

  13. 13.

    Walker, N.; Stuart, D.Acta. Crystallogr. 1983, A39, 158.

  14. 14.

    Sheldrick, G. M. SHELXS86.Program for the automatic solution of crystal structure; Göttingen: Germany,1986.

Download references

Author information

Correspondence to Edward R. T. Tiekink.

Rights and permissions

Reprints and Permissions

About this article

Cite this article

Horn, E., Tiekink, E.R.T. Crystal and molecular structure of potassium 2-amino-6-sulfinato-purine monohydrate. J Chem Crystallogr 25, 459–462 (1995). https://doi.org/10.1007/BF01665701

Download citation

Key Words

  • X-ray diffraction studies
  • 6-thioguanine
  • potassium salt