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8-Thiatheophylline nitrato silver (I): Spectroscopic characterization and crystal structure

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Abstract

A new metal-theophylline derivative was synthesized from AgNO3 and 8-thiatheophylline. The thermal stability of the Ag(C6H6N4O2S)(NO3) complex was studied by TG and DSC techniques. The silver coordination has been discussed from IR,1H-NMR and13C-NMR spectra. The crystal structure was established by X-ray diffraction. Ag(TTH)(NO3) crystallizes in space groupP212121 witha=6.198(1),b=12.576(2),c=13.422(2) Å andZ=4. The structure was refined toR=0.032. This complex reveals interesting features in the coordination mode of the TTH ligand. The sulfur atom and the carbonyl groups are not involved in the coordination. Silver tetrahedral coordination occurs through N7 and N9 of two different TTH ligands (Ag-N7=2.422(3) Å; Ag-N9=2.356(2) Å) and through two oxygen atoms of two different nitrato groups (Ag-O=2.435(4) and 2.518(4) Å) giving a polymeric structure.

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Salas, J.M., Sanchez, M.P., Colacio, E. et al. 8-Thiatheophylline nitrato silver (I): Spectroscopic characterization and crystal structure. Journal of Crystallographic and Spectroscopic Research 20, 133–138 (1990). https://doi.org/10.1007/BF01160964

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