Crystal structure of bis[2-tert-butoxy-6-fluoro-3-(pyridin-2-yl-κN)pyridin-4-yl-κC 4](pentane-2,4-dionato-κ2 O,O′)iridium(III)

초록

The title molecule, [Ir(C<inf>14</inf>H<inf>14</inf>FN<inf>2</inf>O)<inf>2</inf>(C<inf>5</inf>H<inf>7</inf>O<inf>2</inf>)], is located on a twofold rotation axis, which passes through the IrIII atom and the central C atom of the pentane-2,4-dionate anion. The IrIII 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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