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Crystal structure and Hirshfeld surface analysis of tetra-aqua-bis-(isonicotinamide-κN ¹)nickel(II) fumarate.

ABSTRACT: The reaction of NiCl₂ with fumaric acid and isonicotinamide in a basic solution produces the title complex, [Ni(C₆H₆N₂O)₂(H₂O)₄](C₄H₂O₄). The nickel(II) ion of the complex cation and the fumarate anion are each located on an inversion centre. The Ni^II ion is coordinated octa-hedrally by four water O atoms and two N atoms of isonicotinamide mol-ecules. The fumarate anion is linked to neighbouring complex cations via O_water-H⋯O_fumarate hydrogen bonds. In the crystal, the complex cations 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 analysis and two-dimensional fingerprint plots were used to analyse the inter-molecular inter-actions present in the crystal and indicate that the most important contributions for the crystal packing are from H⋯O/O⋯H (41.8%), H⋯H (35.3%) and H⋯C/C⋯H (10.2%) inter-actions.

SUBMITTER: Kansiz S

PROVIDER: S-EPMC6218910 | biostudies-literature |

REPOSITORIES: biostudies-literature

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Synthesis, crystal structure and Hirshfeld surface analysis of tetra-aqua-bis-(isonicotinamide-?N1)cobalt(II) fumarate.

Project description:The reaction of cobalt(II) with fumaric acid (H2fum) and isonicotinamide in a basic solution produces the title salt, [Co(C6H6N2O)2(H2O)4](C4H2O4). In the complex cation, the CoII atom, located on an inversion centre, is coordinated by two isonicotinamide and four water mol-ecules in a distorted N2O4 octa-hedral geometry. The fumarate anion is located on another inversion centre and is linked to neighbouring complex cations via O-H?O and N-H?O hydrogen bonds and weak C-H?O hydrogen bonds. In the crystal, the complex cations are further linked by O-H?O, N-H?O and weak C-H?O hydrogen bonds, forming a three-dimensional supra-molecular architectecture. Hirshfeld surface analyses (dnorm surfaces and two-dimensional fingerprint plots) for the title compound are presented and discussed.

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