Abstract
In the title complex, [Zn(C8H4NO2)2(C10H14N2O)2(H2O)2], the ZnII cation, located on an inversion centre, is coordinated by two water mol-ecules, two 4-cyano-benzoate (CB) anions and two di-ethyl-nicotinamide (DENA) ligands in a distorted N2O4 octa-hedral geometry. In the mol-ecule, the dihedral angle between the planar carboxyl-ate group and the adjacent benzene ring is 9.50 (14)°, while the benzene and pyridine rings are oriented at a dihedral angle of 56.99 (5)°. The water mol-ecules exhibit both an intra-molecular hydrogen bond [to the non-coordinating carboxyl-ate O atom, enclosing an S(6) hydrogen-bonding motif, where O⋯O = 2.6419 (19) Å] and an inter-molecular hydrogen bond [to the amide carbonyl O atom, enclosing an R22(16) ring motif, where O⋯O = 2.827 (2) Å]; the latter lead to the formation of supra-molecular chains propagating along the [110] direction.
Highlights
4-cyanobenzoate (CB) anions and two diethylnicotinamide (DENA) ligands in a distorted N2O4 octahedral geometry
9.50 (14), while the benzene and pyridine rings are oriented at a dihedral angle of 56.99 (5)
The structure-function–coordination relationships of the arylcarboxylate ion in ZnII complexes of benzoic acid derivatives may change depending on the nature and position of the substituted 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)
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 ZnII complexes of benzoic acid derivatives may change depending on the nature and position of the substituted 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 ZnII-containing compound with 4-cyanobenzoate (CB) and DENA ligands, namely trans-diaquabis(4-cyanobenzoato-O)bis(N,N-diethylnicotinamide-N)zinc(II), [Zn(DENA)2(CB)2(H2O)2], and report its crystal structure. 9.50 (14) , while the benzene and pyridine (N2/C9–C14) rings are oriented at a dihedral angle of 56.99 (5)
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