Coordination of a norbornene ligand toward the Zinc(II) ion: spectral, structural and docking studies

In this project, we prepared a new complex of zinc, [Zn(PACN)(Br۲)], with ۲,۹-di(piperidin-۲-yl)-۱,۳,۶-triazabicyclo[۴.۲.۱]nonane (PACN) and identified by elemental analysis, FT-IR spectroscopy and single X-Ray diffraction. In the crystal structure of this complex, zinc atom has a ZnN۳Br۲ environment with square-pyramidal geometry and the coordination number of zinc(II) ion in this complex is ۵. The L portion is potentially five-dentate ligand wich can bind metal atom through five N-atoms. In this compound the ligand acted as tridentate and forms two five membered chelate rings. In the crystal network of the complex there is intermolecular C–H···Br hydrogen bonds, extending the crystal network into three dimensional