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

The asymmetric unit of the title compound, [Co(NCS)(2)(C(6)H(6)N(2)O)(3)(H(2)O)]·2.5H(2)O, comprises one Co(II) 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 locate...

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Detalles Bibliográficos
Autores principales: Neumann, Tristan, Jess, Inke, Näther, Christian
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2016
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5120703/
https://www.ncbi.nlm.nih.gov/pubmed/27920913
http://dx.doi.org/10.1107/S2056989016012470
Descripción
Sumario:The asymmetric unit of the title compound, [Co(NCS)(2)(C(6)H(6)N(2)O)(3)(H(2)O)]·2.5H(2)O, comprises one Co(II) 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 Co(II) 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.