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

Acta Crystallographica Section E: Crystallographic Communications

Park, K.-M.¹  Kang, Y.²  Kim, J.³ 

[1] Department of Chemistry, Kangwon National University, Chuncheon 24341, Republic of Korea;Division of Science Education &Research Institute of Natural Science, Gyeongsang National University, Jinju 52828, Republic of Korea

关键词: CRYSTAL STRUCTURE;    IRIDIUM(III) COMPLEX;    C,N-CHELATING LIGAND;    MER-C3N3 COORDINATION SET;    HYDROGEN BONDS;    C-F...[PI] INTERACTIONS;   

DOI  :  10.1107/S2056989017016759

学科分类：数学（综合）

来源: International Union of Crystallography

【 摘 要 】

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.

【 授权许可】

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