Skip to main content
SpringerLink
Log in

Crystal and molecular structure of Dibromobis ([1,2,4]triazolo[1,5-a]pyrimidine-N3)zinc hemihydrate, C10H8N8Br2Zn·1/2 H2O

  • Published:
Journal of Crystallographic and Spectroscopic Research Aims and scope Submit manuscript

Abstract

The structure of the title compound (C10H8N8Br2Zn·1/2H2O), prepared from the ligand and zinc bromide in ethanol, was solved by X-rays analysis.M r =465.18, monoclinic, space groupP21/n,a=21.2376(11),b=7.1339(6),c=20.0469(11) Å,β=98.583(4)°,V c =3003.2 Å3,Z=8,D x =2.057 Mg m−3,μ(Cu Kα)=87 cm−1,F(000)=1832,T=300 K. Final conventionalR-factor=0.034 andR w =0.036 for 4255 unique reflections withI> 3σ(I) out of 5685 measurements. The structure was solved using automatic programsPatsys andDirdif. The two independent molecules are almost identical. The Zn atom is tetrahedrally coordinated by two Br atoms and two N(3) atoms of the triazolopyrimidine ligands. The planar triazolopyrimidine ligands make angles of 94.0 and 57.5° (moleculeA) with the ZnBr2 plane (98.6 and 57.0° for moleculeB). The water molecule is involved in hydrogen bonds with bromine only.

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

Access this article

Log in via an institution

Price excludes VAT (USA)
Tax calculation will be finalised during checkout.

Instant access to the full article PDF.

Institutional subscriptions

Similar content being viewed by others

References

  • Behm, H., and Beurskens, P. T. (1985)Z. Kristallogr. 170, 10.

    Google Scholar 

  • Beurskens, P. T., Bosman, W. P., Doesburg, H. M., Van den Hark, Th. E. M., Prick, P. A. J., Noordik, J. H., Beurskens, G., Gould, R. O., and Parthasarathi, V. (1982)Conformation in Biology, Srinivasan, R., and Sarma, R. H., eds. Adenine Press, New York, pp. 389–406).

    Google Scholar 

  • Dillen, J., Lenstra, A. T. H., Haasnoot, J. G., and Reedijk, J. (1983)Polyhedron 3, 195–201.

    Google Scholar 

  • Engelfriet, D. W., Brinker, W. den, Verschoor, G. C., and Gorter, S., (1979)Acte Crystallogr. B 35, 2922–2927.

    Google Scholar 

  • Engelfriet, D. W., Verschoor, G. C., and Brinker, W. den (1980)Acta Crystallogr. B 36, 1554–1560.

    Google Scholar 

  • Grant, D. F., and Gabe, E. J. (1978)J. Appl. Crystallogr. 11, 114–120.

    Google Scholar 

  • Hodgson, D. J. (1977)Prog. Inorg. Chem. 23, 211–254.

    Google Scholar 

  • International Tables for X-ray Crystallography (1974) Vol. IV (Kynoch Press, Birmingham).

  • Lehman, M. S., and Larsen, F. K. (1974)Acta Crystallogr. A 30, 580–584.

    Google Scholar 

  • Motherwell, W. D. S. (1976)Pluto, a program for plotting molecular and crystal structures (University Chemical Laboratory, Cambridge, England).

    Google Scholar 

  • North, A. C. T., Philips, D. C., and Mathews, F. S. (1968)Acta Crystallogr. A 24, 351–359.

    Google Scholar 

  • Sheldrick, G. M. (1976)Shelx, a program for crystal structure determination (University Chemical Laboratory, Cambridge, England).

    Google Scholar 

  • Vos, G., Haasnoot, J. G., and Groeneveld, W. L. (1981)Z. Naturforsch. Teil B 36, 802–808.

    Google Scholar 

  • Walker, N., and Stuart, D. (1983)Acta Crystallogr. A 39, 158–166.

    Google Scholar 

Download references

Author information

Authors and Affiliations

  1. Crystallography Laboratory, University of Nijmegen, Toernooiveld, 6525, ED Nijmegen, The Netherlands

    S. Bamidele Sanni, J. M. M. Smits & Paul T. Beurskens

  2. Department of Chemistry, Gorlaeus Laboratories, State University Leiden, P. O. Box 9502, 2300, RA Leiden, The Netherlands

    J. G. Haasnoot & J. Schild

  3. Department of Chemistry, University of Antwerp (U.I.A), Universiteitsplein 1, B-2610, Wilrijk, Belgium

    A. T. H. Lenstra

Authors
  1. S. Bamidele Sanni
    View author publications

    You can also search for this author in PubMed Google Scholar

  2. J. M. M. Smits
    View author publications

    You can also search for this author in PubMed Google Scholar

  3. Paul T. Beurskens
    View author publications

    You can also search for this author in PubMed Google Scholar

  4. J. G. Haasnoot
    View author publications

    You can also search for this author in PubMed Google Scholar

  5. J. Schild
    View author publications

    You can also search for this author in PubMed Google Scholar

  6. A. T. H. Lenstra
    View author publications

    You can also search for this author in PubMed Google Scholar

Additional information

On leave from Chemistry Department, University of Benin, Benin-City, Nigeria.

Rights and permissions

Reprints and permissions

About this article

Cite this article

Bamidele Sanni, S., Smits, J.M.M., Beurskens, P.T. et al. Crystal and molecular structure of Dibromobis ([1,2,4]triazolo[1,5-a]pyrimidine-N3)zinc hemihydrate, C10H8N8Br2Zn·1/2 H2O. Journal of Crystallographic and Spectroscopic Research 16, 823–832 (1986). https://doi.org/10.1007/BF01188188

Download citation

  • Received:

  • Issue Date:

  • DOI: https://doi.org/10.1007/BF01188188

Keywords

Search

Navigation