Synthesis, crystal structure and Hirshfeld surface analysis of a 1D coordination polymer catena-poly[[diaquabis(nicotinamide-κN1)nickel(II)]-μ-fumarato-κ2O1:O4]

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 molecules in a distorted octahedral 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 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 H...O/O...H (35.9%), H...H (31.7%) and C...C (10.4%) interactions.

Keywords

• crystal structure
• fumaric acid
• nicotinamide
• nickel(II)
• Hirshfeld surfaces