Crystal structure of aquatris(isonicotinamide-κN)-bis(thiocyanato-κN)cobalt(II) 2.5-hydrate.

The asymmetric unit of the title compound, [Co(NCS)2(C6H6N2O)3(H2O)]·-2.5H2O, comprises one CoII cation, three isonicotinamide ligands, two thiocyanate anions, one aqua ligand and two water solvent molecules in general positions, as well as one water solvent molecule that is located on a twofold rotation axis. The CoII cations are octahedrally coordinated by two terminally N-bonded thiocyanate anions, one water molecule and three isonicotinamide ligands, each coordinating via the pyridine N atom. The discrete complexes are linked by intermolecular O-H...O, N-H...O and N-H...S hydrogen bonding into a three-dimensional network that contains cavities in which the solvent water molecules are located. The latter are linked by further O-H...O hydrogen bonds to the network. There are additional short contacts present in the crystal, indicative of weak C-H...S, C-H...O and C-H...N interactions. [ABSTRACT FROM AUTHOR]