Crystal structure of trans -di-aqua-bis-(4-cyano-benzoato-κ O )bis-( N , N -di-ethyl-nicotinamide-κ N )cadmium

• Published in: Acta crystallographica. Section E, Crystallographic communications Vol. 72; no. Pt 12; pp. 1827 - 1829
• Main Authors: Akduran, Nurcan, Sertçelik, Mustafa, Aydoğdu, Ömer, Necefoğlu, Hacali, Hökelek, Tuncer
• Format: Journal Article
• Language: English
• Published: England International Union of Crystallography 01.12.2016
• Subjects: Research Communications; crystal structure; cadmium; 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 H N O) (C H NO ) (H O) ], is centrosymmetric and contains two water mol-ecules, two 4-cyanobenzoate (CB) ligands and two di-ethyl-nicotinamide (DENA) ligands. All the ligands are coordinated to the Cd atom in a monodentate mode. The four nearest O atoms around the Cd atom form a slightly distorted square-planar arrangement, with the distorted octa-hedral 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 carboxyl-ate 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 mol-ecules exhibit both intra-molecular [to the non-coordinating carboxyl-ate O atom, enclosing an (6) hydrogen-bonding motif, where O⋯O = 2.670 (2) Å] and inter-molecular [to the amide carbonyl O atom, enclosing an (16) ring motif, where O⋯O = 2.781 (2) Å] O-H⋯O hydrogen bonds. The latter lead to the formation of supra-molecular chains propagating along [110].