Abstract
In the title complex, [CoCl2(C12H8N2)2]·C3H7NO, which has twofold rotation symmetry, the CoII cation is coordinated by two 1,10-phenanthroline (phen) molecules and two chloride ligands in a distorted octahedral geometry. In the crystal structure, a cavity is created by six complex molecules connected by C—H⋯π interactions and non-classical C—H⋯Cl hydrogen bonds. The cavities are occupied by the disordered dimethylformamide solvent molecule. The C and N atoms of the C—N bond in the solvent molecule also lie on a crystallographic twofold rotation axis; the remaining atoms of the solvent are statistically disordered (ratio 0.5:0.5) about this axis.
Highlights
In the title complex, [CoCl2(C12H8N2)2]ÁC3H7NO, which has twofold rotation symmetry, the CoII cation is coordinated by two 1,10-phenanthroline molecules and two chloride ligands in a distorted octahedral geometry
A cavity is created by six complex molecules connected by C—HÁ Á Á interactions and non-classical C— HÁ Á ÁCl hydrogen bonds
The cavities are occupied by the disordered dimethylformamide solvent molecule
Summary
Key indicators: single-crystal X-ray study; T = 293 K; mean (C–C) = 0.002 A; disorder in solvent or counterion; R factor = 0.026; wR factor = 0.063; data-toparameter ratio = 12.2. In the title complex, [CoCl2(C12H8N2)2]ÁC3H7NO, which has twofold rotation symmetry, the CoII cation is coordinated by two 1,10-phenanthroline (phen) molecules and two chloride ligands in a distorted octahedral geometry. A cavity is created by six complex molecules connected by C—HÁ Á Á interactions and non-classical C— HÁ Á ÁCl hydrogen bonds. The cavities are occupied by the disordered dimethylformamide solvent molecule. The C and N atoms of the C—N bond in the solvent molecule lie on a crystallographic twofold rotation axis; the remaining atoms of the solvent are statistically disordered (ratio 0.5:0.5) about this axis. See: Hazell et al (1997)
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