Synthesis and physico-chemical studies of a novel organo-metallic compound CdCl2(C6H4FNH2)2

• A new cadmium(II) complex, CdCl2(C6H4FNH2)2, was synthesized.
• In the complex, the CdCl4N2 entities form chains of edge-charing octahedra.
• The crystal packing is ensured by hydrogen bonds and π−π stacking interactions.
• This material was also investigated by IR, Raman and CP-MAS NMR spectroscopies.

A new Cd(II) complex with the monodentate ligand 3-fluoroaniline, CdCl2(C6H4FNH2)2, has been prepared and characterized by single crystal X-ray diffraction, solid state NMR, IR, Raman and UV–visible spectroscopies. In the complex, the Cd(II) ion is surrounded by four chlorine atoms and two nitrogen atoms, forming a chain of edge-charing octahedra spreading along the a-axis direction. These chains are interconnected via NH…Cl hydrogen bonds to form inorganic layers parallel to the (a, b) plane. The organic 3-fluorophenyl groups are inserted between these layers and are interconnected via CH…F hydrogen bonds to perform an infinite three-dimensional network. Intermolecular π–π stacking interactions between neighboring aromatic rings are also observed with a face-to-face distance of 3.6816 (4) Å. The 13C and 19F CP-MAS NMR spectra are in agreement with the X-ray structure. DFT calculations allow the attribution of the carbon peaks to the different atoms. The absorption bands of the Cd2Cl4N2 units were identified by Raman spectroscopy. The solid-state UV–vis spectrum of the complex has been assigned to ligand and charge transfer transitions.