title: Crystal structure of aqua-tris-(isonicotinamide-κN)bis-(thio-cyanato-κN)cobalt(II) 2.5-hydrate.
abstract: The asymmetric unit of the title compound, [Co(NCS)2(C6H6N2O)3(H2O)]·2.5H2O, comprises one CoIIcation, three isonicotinamide ligands, two thio-cyanate anions, one aqua ligand and two water solvent mol-ecules in general positions, as well as one water solvent mol-ecule that is located on a twofold rotation axis. The CoIIcations are octa-hedrally coordinated by two terminallyN-bonded thio-cyanate anions, one water mol-ecule and three isonicotinamide ligands, each coordinatingviathe pyridine N atom. The discrete complexes are linked by inter-molecular 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 mol-ecules 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 inter-actions.
authors.affiliation: Institut für Anorganische Chemie, Christian-Albrechts-Universität Kiel, Max-Eyth Strasse 2, D-24118 Kiel, Germany.
authors.forename: Tristan
authors.initials: T
authors.lastname: Neumann
authors.affiliation: Institut für Anorganische Chemie, Christian-Albrechts-Universität Kiel, Max-Eyth Strasse 2, D-24118 Kiel, Germany.
authors.forename: Inke
authors.initials: I
authors.lastname: Jess
authors.affiliation: Institut für Anorganische Chemie, Christian-Albrechts-Universität Kiel, Max-Eyth Strasse 2, D-24118 Kiel, Germany.
authors.forename: Christian
authors.initials: C
authors.lastname: Näther
keywords: cobalt(II) thio­cyanate; crystal structure; discrete complex; hydrogen bonding; isonicotinamide