Abstract
The mononuclear title cadmium complex, [Cd(C10H14N2O)2(C8H4NO2)2(H2O)2], 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 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 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 S(6) hydrogen-bonding motif, where O⋯O = 2.670 (2) Å] and inter-molecular [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 supra-molecular chains propagating along [110].
Highlights
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 crystal structures of some complexes obtained from the reactions of transition metal(II) ions with NA or DENA as ligands, e.g. [Ni(NA)2(C7H4ClO2)2(H2O)2] (Hökelek et al, 2009a) and [Ni(DENA)2(C7H4ClO2)2(H2O)2] (Hökelek et al, 2009b), have been determined in our laboratory
Ligand, one DENA ligand as well as one water molecule, all ligands coordinating to the CdII atom in a monodentate mode (Fig. 1)
Summary
Nicotinamide (NA) is one form of niacin. A deficiency of this vitamin leads to loss of copper from the body, known as pellagra disease. The structure–function–coordination relationships of the arylcarboxylate ion in CdII complexes of benzoic acid derivatives may change depending on the nature and position of the substituent groups on the benzene ring, the nature of the additional ligand molecule or solvent, and the pH and temperature of synthesis (Shnulin et al, 1981; Nadzhafov et al., 1981; Antsyshkina et al, 1980; Adiwidjaja et al, 1978). When pyridine and its derivatives are used instead of water molecules, the structure is completely different (Catterick et al., 1974). In this context, we synthesized a CdII-containing compound with 4-cyanobenzoate (CB) and DENA ligands, namely trans-diaquabis(4-cyanobenzoato-O)bis(N,N0 -diActa Cryst.
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