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

ABSTRACT: 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.

SUBMITTER: Kansiz S

PROVIDER: S-EPMC5956340 | biostudies-literature | 2018 Feb

REPOSITORIES: biostudies-literature

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Synthesis, crystal structure and Hirshfeld surface analysis of tetra-aqua-bis-(isonicotinamide-κN1)cobalt(II) fumarate.

Kansiz Sevgi S Almarhoon Zainab M ZM Dege Necmi N

Acta crystallographica. Section E, Crystallographic communications 20180126 Pt 2

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 ...[more]

PMID: 29850057

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

Project description: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 NiII 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 Owater-H⋯Ofumarate 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.

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

Project description:The reaction of CoCl2 with succinic acid and isonicotinamide in basic solution produces the title complex [Co(C6H6N2O)2(H2O)4](C4H4O4). The cobalt(II) ion of the complex cation and the succinate anion are each located on an inversion centre. The CoII ion is octa-hedrally coordinated by four O atoms of water mol-ecules and two N atoms of isonicotinamide mol-ecules. The two ions are linked via Owater-H?Osuccinate hydrogen bonds, forming chains propagating along [001]. In the crystal, these hydrogen-bonded chains are linked into a three-dimensional framework by further O-H?O hydrogen bonds and N-H?O hydrogen bonds. The framework is reinforced by C-H?O hydrogen bonds. Hirshfeld surface analysis and two-dimensional fingerprint plots have been used to analyse the inter-molecular inter-actions present in the crystal.

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Crystal structure of tetra-kis-(isonicotinamide-κN)bis-(thio-cyanato-κN)cobalt(II)-isonicotinamide-ethanol (1/2/1).

Project description:The asymmetric unit of the title compound, [Co(NCS)2(C6H6N2O)4]·2C6H6N2O·C2H5OH, comprises one Co(II) cation, two thio-cyanate anions, four coordinating and two solvent isonicotinamide molecules and one ethanol solvent mol-ecule. The Co(II) cations are octa-hedrally coordinated by four N-coordinating isonicotinamide ligands and two terminally N-bonded thio-cyanate anions. These discrete complexes are linked by inter-molecular N-H⋯O and N-H⋯S hydrogen-bonding inter-actions into a three-dimensional network. The two isonicotinamide and the ethanol solvent mol-ecules are embedded in channels of this network and are linked through further N-H⋯O and N-H⋯N hydrogen bonds to the network. The ethanol solvent mol-ecule is disordered over two sets of sites (occupancy ratio 0.6:0.4).

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Tetra-aqua-bis(isonicotinamide-κN)nickel(II) bis-(4-formyl-benzoate) dihydrate.

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trans-Tetra-aqua-bis-(isonicotinamide-κN)nickel(II) bis-(3-hy-droxy-benzoate) tetra-hydrate.

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