Abstract
The reaction of NiCl2 with fumaric acid and nicotinamide in basic solution produces the title polymeric complex, [Ni(C4H2O4)(C6H6N2O)2(H2O)2] n . The NiII cation, located on an inversion centre, is coordinated by two O atoms of the fumarate dianions, two N atoms from nicotinamide ligands and two water mol-ecules in a distorted octa-hedral fashion. In the crystal, the fumarate dianions bridge the NiII cations, forming polymeric chains propagating along the [101] direction; the polymeric chains are further linked by O-H⋯O, N-H⋯O and C-H⋯O hydrogen bonds, forming a three-dimensional supra-molecular architecture. Hirshfeld surface analyses and two-dimensional fingerprint plots were used to analyse the inter-molecular inter-actions present in the crystal, indicating that the most important contributions for the crystal packing are from H⋯O/O⋯H (35.9%), H⋯H (31.7%) and C⋯C (10.4%) inter-actions.
Highlights
The reaction of NiCl2 with fumaric acid and nicotinamide in basic solution produces the title polymeric complex, [Ni(C4H2O4)(C6H6N2O)2(H2O)2]n
The fumarate dianions bridge the NiII cations, forming polymeric chains propagating along the [101] direction; the polymeric chains are further linked by O—HÁ Á ÁO, N—HÁ Á ÁO and C—HÁ Á ÁO hydrogen bonds, forming a three-dimensional supramolecular architecture
Hirshfeld surface analyses and two-dimensional fingerprint plots were used to analyse the intermolecular interactions present in the crystal, indicating that the most important contributions for the crystal packing are from HÁ Á ÁO/OÁ Á ÁH (35.9%), HÁ Á ÁH (31.7%) and CÁ Á ÁC (10.4%) interactions
Summary
Metal complexes of biologically important ligands are sometimes more effective than the free ligands. Many transition and heavy metal cations play an important role in biological processes in the formation of many vitamins and drug components. An important element for biological systems is nickel. Dicarboxylic acid ligands are utilized in the synthesis of a range of metal complexes and fumaric acid and amide have been useful in creating many supramolecular structures (Pavlishchuk et al, 2011; Ostrowska et al, 2016), in particular between nicotinamide and a variety of carboxylic acid molecules. We have prepared a new NiII complex, catena-poly[[diaquabis(nicotinamide-N1)nickel(II)]--fumarato-2O1:O4], whose structure has been determined by single crystal X-ray diffraction analysis. To understand the intermolecular interactions in the crystal structure, Hirshfeld surface analysis was performed
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