Abstract

In the title complex, [Co(C8H4NO2)2(C6H6N2O)2(H2O)2], the Co(II) atom is located on an inversion centre and is coordinated by two 4-cyano-benzoate (CNB) anions, two nicotinamide (NA) ligands and two water mol-ecules. The four O atoms in the equatorial plane form a slightly distorted square-planar arrangement, while the slightly distorted octa-hedral coordination sphere is completed by the two N atoms of the NA ligands in the axial positions. The dihedral angle between the carboxyl-ate group and the adjacent benzene ring is 22.11 (15)°, while the pyridine and benzene rings are oriented at a dihedral angle of 89.98 (5)°. In the crystal, inter-molecular N-H⋯O and O-H⋯O hydrogen bonds link the mol-ecules, enclosing R 2 (2)(8) and R 4 (4)(8) ring motifs, forming layers parallel to (100). The layers are linked via C-H⋯O and C-H⋯N hydrogen bonds, resulting in a three-dimensional network. A weak C-H⋯π inter-action is also observed.

Highlights

  • In the title complex, [Co(C8H4NO2)2(C6H6N2O)2(H2O)2], the CoII atom is located on an inversion centre and is coordinated by two 4-cyanobenzoate (CNB) anions, two nicotinamide (NA) ligands and two water molecules

  • The four O atoms in the equatorial plane form a slightly distorted square-planar arrangement, while the slightly distorted octahedral coordination sphere is completed by the two N atoms of the NA ligands in the axial positions

  • 22.11 (15), while the pyridine and benzene rings are oriented at a dihedral angle of 89.98 (5)

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Summary

Chemical context

Nicotinamide (NA) is one form of niacin. A deficiency of this vitamin leads to loss of copper from the body, known as pellagra disease. Victims of pellagra show unusually high serum and urinary copper levels (Krishnamachari, 1974). Derivatives 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 the CoII-containing title compound, trans-diaquabis(4-cyanobenzoato-O)bis(nicotinamide-N1)cobalt(II), [Co(C8H4O2N)2(C6H6N2O)2(H2O)2], and report its crystal structure

Structural commentary
Supramolecular features
Synthesis and crystallization
Refinement
Full Text
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