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Vol. 27 No. 4 (2015): Vol 27 Issue 4

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Cobalt(II) Complex of 2,4-Diaminopyrimidine-5-(3,4,5-trimethoxy benzyl)pyrimidine: Experimental and Theoretical Studies

https://doi.org/10.14233/ajchem.2015.18019
Peter A. Ajibade
Department of Chemistry, University of Fort Hare, Alice 5700, South Africa

Corresponding Author(s) : Peter A. Ajibade

pajibade@ufh.ac.za

Asian Journal of Chemistry, Vol. 27 No. 4 (2015): Vol 27 Issue 4

Abstract

Cobalt(II) complex of 2,4-diamino-5-(3',4,5'-trimethoxybenzyl)pyrimidine (trimethoprim) with sulfur ions was synthesized and characterized by elemental analysis, FTIR and electronic spectroscopy. The Co(II) complex formulated as [Co(TMP)2S2] was confirmed by spectroscopic, single crystal X-ray studies to be in a distorted tetrahedral geometry. The compound contains two molecules of trimethoprim (TMP) and (S2)2– dianion. The (S2)2– dianion are linked together through non-covalent interactions. Computational analysis confirmed the existence of the dianion in which the each S– of the –S···S– dianion is linked together through non covalent interactions and the entire molecule stabilized by hydrogen bond networks. The Co-S bonds in the compound were confirmed though single crystal X-ray and computational studies to be single bonds rather than dithioxocobalt (Co=S) bonds.

Keywords

Cobalt(II) complex Spectral studies Crystal structure Computational study Non-covalent interactions
A. Ajibade, P. (2015). Cobalt(II) Complex of 2,4-Diaminopyrimidine-5-(3,4,5-trimethoxy benzyl)pyrimidine: Experimental and Theoretical Studies. Asian Journal of Chemistry, 27(4), 1391–1397. https://doi.org/10.14233/ajchem.2015.18019
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