Crystal and molecular structure of Dibromobis ([1,2,4]triazolo[1,5-a]pyrimidine-N3)zinc hemihydrate,C10H8N8Br2Zn·1/2 H2O |
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| Authors: | S. Bamidele Sanni J. M. M. Smits Paul T. Beurskens J. G. Haasnoot J. Schild A. T. H. Lenstra |
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| Affiliation: | (1) Crystallography Laboratory, University of Nijmegen, Toernooiveld, 6525 ED Nijmegen, The Netherlands;(2) Department of Chemistry, Gorlaeus Laboratories, State University Leiden, P. O. Box 9502, 2300 RA Leiden, The Netherlands;(3) Department of Chemistry, University of Antwerp (U.I.A), Universiteitsplein 1, B-2610 Wilrijk, Belgium |
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| 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.Mr=465.18, monoclinic, space groupP21/n,a=21.2376(11),b=7.1339(6),c=20.0469(11) Å, =98.583(4)°,Vc=3003.2 Å3,Z=8,Dx=2.057 Mg m–3, (Cu K )=87 cm–1,F(000)=1832,T=300 K. Final conventionalR-factor=0.034 andRw=0.036 for 4255 unique reflections withI> 3 (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.On leave from Chemistry Department, University of Benin, Benin-City, Nigeria. |
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