Crystal structures of (acetonitrile-κN)tris(pyridine-4-thioamide-κN)bis(thiocyanate-κN)cobalt(II) acetonitrile disolvate and tetrakis(pyridine-4-thioamide-κN)bis(thiocyanate-κN)nickel(II) methanol pentasolvate

• Main Authors: Tristan Neumann, Inke Jess, Christian Näther
• Format: Article
• Language: English
• Published: International Union of Crystallography 2018-07-01
• Series: Acta Crystallographica Section E: Crystallographic Communications
• Subjects: crystal structure; discrete complexes; thiocyanate; hydrogen bonding; cobalt; nickel
• Online Access: http://scripts.iucr.org/cgi-bin/paper?S2056989018007612

Reaction of Co(NCS)2 or Ni(NCS)2 with pyridine-4-thioamide in different solvents led to the formation of two compounds with composition [Co(NCS)2(C2H3N)(C6H6N2S)3]·2CH3CN (1) and [Ni(NCS)2(C6H6N2S)4]·5CH3OH (2), respectively. The asymmetric unit of compound 1 consists of one cobalt(II) cation, two thiocyanate anions, three pyridine-4-thioamide ligands, one coordinating and two solvate acetonitrile molecules. One of the two acetonitrile solvate molecules is disordered over two sets of sites in a 0.62:0.38 ratio. The asymmetric unit of compound 2 comprises of one nickel(II) cation, two thiocyanate anions, four N-bonding pyridine-4-thioamide ligands and five methanol solvate molecules. In compound 1, the cobalt(II) cations are octahedrally coordinated into discrete complexes by two terminal N-bonding thiocyanate anions, the N atoms of three pyridine-4-thioamide ligands and one acetonitrile molecule. Additional acetonitrile solvate molecules are located between the complexes,. The complexes and solvate molecules are linked via intermolecular hydrogen bonding into a three-dimensional framework. In compound 2, the nickel(II) cations are likewise octahedrally coordinated by two terminal N-bonded thiocyanate anions and four N-bonding pyridine-4-thioamide ligands into discrete complexes. From their arrangement cavities are formed, in which the methanol solvate molecules are located. Again, the complexes and solvate molecules are linked into a three-dimensional framework by intermolecular hydrogen bonding.