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

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AKDURAN N., Sertcelik M., Aydogdu O., Necefoglu H., HÖKELEK T.

ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, vol.72, pp.1827-1835, 2016 (ESCI) identifier identifier identifier


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 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) angstrom. The dihedral angle between the carboxylate group and the adjacent benzene ring is 8.75 (16)degrees, while the benzene and pyridine rings are oriented at a dihedral angle of 57.83 (5)degrees. The water molecules exhibit both intramolecular [to the non-coordinating carboxylate O atom, enclosing an S(6) hydrogen-bonding motif, where O center dot center dot center dot O = 2.670 (2) angstrom] and intermolecular [to the amide carbonyl O atom, enclosing an R-2(2) (16) ring motif, where O center dot center dot center dot O = 2.781 (2) angstrom] O-H center dot center dot center dot O hydrogen bonds. The latter lead to the formation of supramolecular chains propagating along [110].