Crystal structure of mer-tris-{2,6-di-fluoro-3-[5-(2-fluoro-phen-yl)pyridin-2-yl-?N]pyridin-4-yl-?C⁴}iridium(III) di-chloro-methane hemisolvate n-hexane hemisolvate.

ABSTRACT: The asymmetric unit of the title compound, [Ir(C₁₇H₁₁F₂N₂)₃]·0.5CH₃(CH₂)₄CH₃·0.5CH₂Cl₂, comprises one Ir^III atom, three 2,6-di-fluoro-3-[5-(2-fluoro-phen-yl)pyridin-2-yl]pyridin-4-yl ligands and half each of an n-hexane and a di-chloro-methane solvent mol-ecule located about crystallographic inversion centres. The Ir^III atom displays a distorted octa-hedral coordination geometry, having three C,N-chelating 2,6-di-fluoro-3-[5-(2-fluoro-phen-yl)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 inter-molecular C-H?F and C-H?? hydrogen bonds, as well as inter-molecular C-F?? inter-actions, contribute to the stabilization of the mol-ecular and crystal structures, and result in the formation of a two-dimensional network parallel to the ab plane. No inter-actions between n-hexane solvent mol-ecules and the other components in the title compound are observed.

SUBMITTER: Kang Y 

PROVIDER: S-EPMC5730259 | biostudies-literature | 2017 Dec

REPOSITORIES: biostudies-literature