Abstract

• The new organic-inorganic compound (C 7 H 9 N 4 O 2 ).[ZnCl 3 (H 2 O) was prepared and characterized. • The structure of the complex was determined by Single Crystal X-Ray Diffraction and confirmed by FTIR, 1 H RMN, UV-visible. • The antibacterial test was investigated with various pathogenic strains. Single crystals of organic-inorganic hybrid compound (C 7 H 9 N 4 O 2 ).[ZnCl 3 (H 2 O)] has been synthesized by slow evaporation at room temperature and characterized by X-ray diffraction analysis, UV-visible, infrared spectroscopy (FTIR), and 1 H NMR. The complex was crystallized in the monoclinic system with P 2 1 /c space group. Moreover, the composition of the complex contains a distorted tetrahedral [ZnCl 3 (H 2 O)] −1 anion and one protonated theophyllinium cation. The Zn(II) ion is coordinated by three Cl atoms and one oxygen atom from the water molecule in a close to tetrahedral geometry. The intermolecular hydrogen bonds (O–H…O, O–H…Cl and N-H…Cl) are together playing a vital role in stabilizing of the crystal packing. The antibacterial activity of the complex was evaluated against some bacteria Escherichia coli and Staphylococcus aureus . The compound shown greater antibacterial activity with a MIC value 1.25 mg/µL.

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