Crystal structure of tris-(1,3-dimesityl-4,5-di-hydro-1H-imidazol-3-ium) tetra-bromido-cobaltate(II) bromide chloro-form hexa-solvate.

ABSTRACT: In the unit cell of the title compound, (C21H27N2)3[CoBr4]Br·6CHCl3, the tetrabromidocobaltate(II) anion and the bromide anion are located on a crystallographic threefold rotation axis. For the [CoBr4](2-) group, the axis runs through one of the Br ligands and the Co(II) atom. All other structure moieties lie on general sites. Various tris-(1,3-dimesityl-4,5-di-hydro-1H-imidazol-3-ium) structures with different counter-ions have been reported. In the title compound, the N-C-N angle is 113.7?(5)°, with short C-N bond lengths of 1.297?(7) and 1.307?(7)?Å. The two mesityl planes make a dihedral angle of 34.6?(1)° and the dihedral angles between the mesityl and N-C-N planes are 82.0?(1) and 88.5?(1)°, respectively. The imidazoline ring is almost planar, with atom deviations in the range 0.003?(5)-0.017?(5)?Å from the best plane; the mean deviation is 0.012?(5)?Å. In the crystal, non-covalent inter-actions of the C-H?Br type occur between the Br(-) anion and the cation, as well as between the [CoBr4](2-) anion and both the chloro-form solvent mol-ecules. These H?A distances are slightly shorter than the sum of van der Waals radii.

SUBMITTER: Rais E 

PROVIDER: S-EPMC4647430 | biostudies-other | 2015 Oct

REPOSITORIES: biostudies-other