Crystal structure of mer-tris{2,6-difluoro-3-[5-(2-fluorophenyl)pyridin-2-yl-κN]pyridin-4-yl-κC4}iridium(III) dichloromethane hemisolvate n-hexane hemisolvate

• Main Authors: Youngjin Kang, Ki-Min Park, Jinho Kim
• Format: Article
• Language: English
• Published: International Union of Crystallography 2017-12-01
• Series: Acta Crystallographica Section E: Crystallographic Communications
• Subjects: crystal structure; iridium(III) complex; C,N-chelating ligand; mer-C3N3 coordination set; hydrogen bonds; C—F...π interactions
• Online Access: http://scripts.iucr.org/cgi-bin/paper?S2056989017016759
• ISSN: 2056-9890

The asymmetric unit of the title compound, [Ir(C17H11F2N2)3]·0.5CH3(CH2)4CH3·0.5CH2Cl2, comprises one IrIII 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 IrIII 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 IrIII 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—H...F and C—H...π hydrogen bonds, as well as intermolecular C—F...π 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.