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Crystal structure of mer-tris{2,6-difluoro-3-[5-(2-fluorophenyl)pyridin-2-yl-κN]pyridin-4-yl-κC (4)}iridium(III) dichloromethane hemisolvate n-hexane hemisolvate
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...
Autores principales: | , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2017
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5730259/ https://www.ncbi.nlm.nih.gov/pubmed/29250422 http://dx.doi.org/10.1107/S2056989017016759 |
Sumario: | 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—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. |
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