Crystal structure of trans-diaquabis(4-cyanobenzoato-κO)bis(N,N-diethylnicotinamide-κN)cadmium

Abstract

The mononuclear title cadmium complex, [Cd(C10H14N2O)2(C8H4NO2)2(H2O)2], is centrosymmetric and contains two water molecules, two 4-cyanobenzoate (CB) ligands and two diethylnicotinamide (DENA) ligands. All the ligands are coordinated to the CdII atom in a monodentate mode. The four nearest O atoms around the CdII atom form a slightly distorted square-planar arrangement, with the distorted octahedral coordination sphere being completed by the two pyridine N atoms of the DENA ligands at distances of 2.3336 (13) Å. The dihedral angle between the carboxylate group and the adjacent benzene ring is 8.75 (16)°, while the benzene and pyridine rings are oriented at a dihedral angle of 57.83 (5)°. The water molecules exhibit both intramolecular [to the non-coordinating carboxylate O atom, enclosing an S(6) hydrogen-bonding motif, where O...O = 2.670 (2) Å] and intermolecular [to the amide carbonyl O atom, enclosing an R22(16) ring motif, where O...O = 2.781 (2) Å] O—H...O hydrogen bonds. The latter lead to the formation of supramolecular chains propagating along [110].

Keywords

• crystal structure
• cadmium
• transition metal complexes of benzoic acid and nicotinamide derivatives