Crystal structure of trans -diaquabis(4-cyanobenzoato-κ O )bis( N , N -diethylnicotinamide-κ N )cadmium

• Published in: Acta crystallographica. Section E, Crystallographic communications Crystallographic communications, 2016-12, Vol.72 (12), p.1827-1829
• Main Authors: Akduran, Nurcan, Sertçelik, Mustafa, Aydoğdu, Ömer, Necefoğlu, Hacali, Hökelek, Tuncer
• Format: Article
• Language: English
• Subjects: cadmium; crystal structure; transition metal complexes of benzoic acid and nicotinamide derivatives
• ISSN: 2056-9890; 2056-9890
• DOI: 10.1107/S2056989016018247

The mononuclear title cadmium complex, [Cd(C 10 H 14 N 2 O) 2 (C 8 H 4 NO 2 ) 2 (H 2 O) 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 Cd II atom in a monodentate mode. The four nearest O atoms around the Cd II 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 R 2 2 (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].