Imidazole is present in important biological building blocks, such as histidine, being a part of proteins and enzymes [1]. The nitrogen atoms in the ring are consummate sites for the binding of various metal ions, and the group has been used widely in ligands. Here we report the synthesis of a new coordination compound with chemical formula [Zn(L)2(H2O)Py]·(Py)2 (where L = 4,5-diphenyl-2-nitroimidazolyl). The composition, structure and physico-chemical properties of this compound have been investigated including FTIR, NMR, and UV-Vis spectroscopies, by elemental, thermogravimetric, and X-ray analyses. The results of thermal analysis revealed that the complex is stable in air up to 130 °C. At higher temperature the complex decomposes in three steps. A solution of the complex in chloroform displays absorption bands in both the ultraviolet (264 nm) and visible region (388 nm), the latter band has a relatively high molar absorption coefficient of ε388 = 18857 M-1 ∙cm-1 . The X-ray study has shown that metal ion has coordination number 5, and a coordination mode of MN2 ImN PyO NO2O H2O . The central ion simultaneously coordinates two neutral molecules (water and pyridine) and two deprotonated ligands L, but only one nitro-group is involved in complexation to the Zn(II) ion. The nitro group acts in a monodentate manner through the oxygen atom. Crystalline networks for this compound are formed through formation of hydrogen bonds and π···π stacking of the aromatic rings.figureFig. 1. The structure of [Zn(4,5- ImPh2NO2)2(H2O)Py]·(Py)2 complex