Crystal structure of mer-tris{2,6-difluoro-3-[5-(2-fluorophenyl)pyridin-2-yl-κ N ]pyridin-4-yl-κ C 4 }iridium(III) dichloromethane hemisolvate n-hexane hemisolvate

초록

The asymmetric unit of the title compound, [Ir(C 17 H 11 F 2 N 2) 3 ]0.5CH 3 (CH 2) 4 CH 3 0.5CH 2 Cl 2, comprises one Ir III atom, three 2,6-difluoro-3-[5-(2-fluorophenyl)pyridin-2-yl]pyridin-4-yl ligands and half each of an n-hexane and a dichloromethane solvent molecule located about crystallographic inversion centres. The Ir III atom displays a distorted octahedral coordination geometry, having three C,N-chelating 2,6-difluoro-3-[5-(2-fluorophenyl)pyridin-2-yl]pyridin-4-yl ligands arranged in a meridional manner. The Ir III ion lies almost in the equatorial plane [deviation = 0.0069(15)Å]. The average distance [2.041(3)Å] of Ir-C bonds is slightly shorter than that [2.076(3)Å] of Ir-N bonds. A variety of intra-and intermolecular C-HF and C-H hydrogen bonds, as well as intermolecular C-F interactions, contribute to the stabilization of the molecular and crystal structures, and result in the formation of a two-dimensional network parallel to the ab plane. No interactions between n-hexane solvent molecules and the other components in the title compound are observed. © Kang et al. 2017.

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