Abstract
The asymmetric unit of the title polymeric compound, [Cu(C8H4NO2)2(C10H14N2O)(H2O)] n , contains one Cu(II) atom, one coordinating water mol-ecule, two 4-cyano-benzoate (CB) ligands and one coordinating N,N-di-ethyl-nicotinamide (DENA) mol-ecule. The DENA ligand acts as a bis-monodentate ligand, while the CB anions are monodentate. Two O atoms of the CB ligands, one O atom of the water mol-ecule and the pyridine N atom of the DENA ligand form a slightly distorted square-planar arrangement around the Cu(II) atom which is completed to a square-pyramidal coordination by the apically placed O atom of the DENA ligand, with a Cu-O distance of 2.4303 (15) Å. In the two CB anions, the carboxyl-ate groups are twisted relative to the attached benzene rings by 2.19 (12) and 3.87 (15)°, while the benzene rings are oriented at a dihedral angle of 5.52 (8)°. The DENA ligands bridge adjacent Cu(2+) ions, forming polymeric coordination chains running along the b axis. In the crystal, strong water-carboxyl-ate O-H⋯O hydrogen bonds link adjacent chains into layers parallel to (10-1) and weak C-H⋯O hydrogen bonds further stabilize the crystal structure. The cyano group C and N atoms of one of the CB ligands are disordered over two sets of sites with equal occupancies.
Highlights
4-cyanobenzoate (CB) ligands and one coordinating N,N-diethylnicotinamide (DENA) molecule
The DENA ligand acts as a bis-monodentate ligand, while the CB anions are monodentate
Two O atoms of the CB ligands, one O atom of the water molecule and the pyridine N atom of the DENA ligand form a slightly distorted square-planar arrangement around the CuII atom which is completed to a square-pyramidal coordination by the apically placed O atom of the DENA
Summary
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). The structures of some complexes obtained from the reactions of transition metal(II) ions with NA and DENA as ligands, e.g. Aqua complexes of CuII benzoates containing nicotinamide or. (4-NO2bz = 4-nitrobenzoate, mna = N-methylnicotinamide, 3,5-(NO2)2bz = 3,5-dinitrobenzoate) (Vasková et al, 2014) and [Cu2(C8H7O3)4(C6H6N2O)2(H2O)2] (Hökelek et al, 2010). To the best of our knowledge, the title compound is the first polymeric copper compound with a similar set of ligands. 4-cyanobenzoate (CB) and DENA ligands, namely catenapoly[[aquabis(4-cyanobenzoato-O)copper(II)]--N,N-diethylnicotinamide-2N1:O], [Cu(DENA)(CB)2(H2O)]n, and report its crystal structure
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