Synthesis and crystal structure of di-aqua-bis-(hexa-methyl-enetramine-κN)bis-(thio-cyanato-κN)cobalt(II)-hexa-methyl-ene-tetra-mine-aceto-nitrile (1/2/2).

ABSTRACT: The crystal structure of the title solvated coordination compound, [Co(NCS)₂(C₆H₁₂N₄)₂(H₂O)₂]·2C₆H₁₂N₄·2C₂H₃N, consists of discrete complexes in which the Co²⁺ cations (site symmetry ) are sixfold coordinated by two N-bonded thio-cyanate anions, two water mol-ecules and two hexa-methyl-ene-tetra-mine (HMT) mol-ecules to generate distorted trans-CoN₄O₂ octa-hedra. The discrete complexes are each connected by two HMT solvate mol-ecules into chains via strong O-H⋯N hydrogen bonds. These chains are further linked by additional O-H⋯N and C-H⋯N and C-H⋯S hydrogen bonds into a three-dimensional network. Within this network, channels are formed that propagate along the c-axis direction and in which additional aceto-nitrile solvent mol-ecules are embedded, which are hydrogen bonded to the network. The CN stretching vibration of the thio-cyanate ion occurs at 2062 cm^-1, which is in agreement with the presence of N-bonded anionic ligands. XRPD investigations prove the formation of the title compound as the major phase accompanied by a small amount of a second unknown phase.

SUBMITTER: Krebs C 

PROVIDER: S-EPMC8587985 | biostudies-literature | 2021 Nov

REPOSITORIES: biostudies-literature