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Crystal structure of bis[2-tert-butoxy-6-fluoro-3-(pyridin-2-yl-κN)pyridin-4-yl-κC (4)](pentane-2,4-dionato-κ(2) O,O′)iridium(III)
The title molecule, [Ir(C(14)H(14)FN(2)O)(2)(C(5)H(7)O(2))], is located on a twofold rotation axis, which passes through the Ir(III) atom and the central C atom of the pentane-2,4-dionate anion. The Ir(III) atom adopts a distorted octahedral coordination geometry, being C,N-chelated by two 2-tert-...
Autores principales: | , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2014
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4257303/ https://www.ncbi.nlm.nih.gov/pubmed/25484765 http://dx.doi.org/10.1107/S1600536814022934 |
Sumario: | The title molecule, [Ir(C(14)H(14)FN(2)O)(2)(C(5)H(7)O(2))], is located on a twofold rotation axis, which passes through the Ir(III) atom and the central C atom of the pentane-2,4-dionate anion. The Ir(III) atom adopts a distorted octahedral coordination geometry, being C,N-chelated by two 2-tert-butoxy-6-fluoro-3-(pyridin-2-yl)pyridin-4-yl ligands and O,O′-chelated by the pentane-2,4-dionato ligand. The bipyridinate ligands, which are perpendicular to each other [dihedral angle between the two least-squares planes = 89.95 (5)°], are arranged in a cis-C,C′ and trans-N,N′ fashion relative to the central metal cation. Intramolecular C—H⋯O and C—H⋯N hydrogen bonds and intermolecular C—H⋯F hydrogen bonds as well as π—π interactions between neighbouring pyridine rings [centroid–centroid distance 3.680 (1) Å] contribute to the stabilization of the molecular and crystal structure, respectively. |
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