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Crystal structure of bis-[2-tert-but-oxy-6-fluoro-3-(pyridin-2-yl-?N)pyridin-4-yl-?C (4)](pentane-2,4-dionato-?(2) O,O')iridium(III).

ABSTRACT: The title mol-ecule, [Ir(C14H14FN2O)2(C5H7O2)], 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 octa-hedral coordination geometry, being C,N-chelated by two 2-tert-but-oxy-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. Intra-molecular C-H?O and C-H?N hydrogen bonds and inter-molecular C-H?F hydrogen bonds as well as ?-? inter-actions between neighbouring pyridine rings [centroid-centroid distance 3.680?(1)?Å] contribute to the stabilization of the mol-ecular and crystal structure, respectively.

SUBMITTER: Park KM 

PROVIDER: S-EPMC4257303 | biostudies-other | 2014 Nov

REPOSITORIES: biostudies-other

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Crystal structure of bis-[2-tert-but-oxy-6-fluoro-3-(pyridin-2-yl-κN)pyridin-4-yl-κC (4)](pentane-2,4-dionato-κ(2) O,O')iridium(III).

Park Ki-Min KM   Kang Youngjin Y  

Acta crystallographica. Section E, Structure reports online 20141029 Pt 11

The title mol-ecule, [Ir(C14H14FN2O)2(C5H7O2)], 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 octa-hedral coordination geometry, being C,N-chelated by two 2-tert-but-oxy-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-squar  ...[more]

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