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

Acta Crystallographica Section E: Crystallographic Communications

Neumann, T.¹  Jess, I.¹  Näther, C.¹ 

[1] Institut für Anorganische Chemie, Christian-Albrechts-Universität Kiel, Max-Eyth Strasse 2, D-24118 Kiel, Germany

关键词: CRYSTAL STRUCTURE;    DISCRETE COMPLEX;    COBALT(II) THIOCYANATE;    ISONICOTINAMIDE;    HYDROGEN BONDING;   

DOI  :  10.1107/S2056989016012470

学科分类：数学（综合）

来源: International Union of Crystallography

【 摘 要 】

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.

【 授权许可】

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