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[2,6-Di-fluoro-3-(pyridin-2-yl-?N)pyridin-4-yl-?C (4)](penta-ne-2,4-dionato-?(2) O,O')iridium(III).

ABSTRACT: The title compound, [Ir(C10H5F2N2)2(C5H7O2)], has a distorted octa-hedral coordination geometry around the Ir(III) atom, retaining the cis-C,C/trans-N,N chelate disposition in two 2,6-di-fluoro-3-(pyridin-2-yl-?N)pyridin-4-yl ligands which are nearly mutually perpendicular [dihedral angle = 82.75?(15)°]. The mol-ecular structure is stabilized by weak C-H?O and C-H?F hydrogen-bond inter-actions. The crystal structure is stabilized by ?-? stacking inter-actions (centroid-centroid distance = 3.951?Å).

SUBMITTER: Luo K

PROVIDER: S-EPMC3884251 | biostudies-literature | 2013 Oct

REPOSITORIES: biostudies-literature

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[2,6-Di-fluoro-3-(pyridin-2-yl-κN)pyridin-4-yl-κC (4)](penta-ne-2,4-dionato-κ(2) O,O')iridium(III).

Luo Kaijun K Zhang Chenyang C Jia Juan J Luo Daibing D

Acta crystallographica. Section E, Structure reports online 20131009 Pt 11

The title compound, [Ir(C10H5F2N2)2(C5H7O2)], has a distorted octa-hedral coordination geometry around the Ir(III) atom, retaining the cis-C,C/trans-N,N chelate disposition in two 2,6-di-fluoro-3-(pyridin-2-yl-κN)pyridin-4-yl ligands which are nearly mutually perpendicular [dihedral angle = 82.75 (15)°]. The mol-ecular structure is stabilized by weak C-H⋯O and C-H⋯F hydrogen-bond inter-actions. The crystal structure is stabilized by π-π stacking inter-actions (centroid-centroid distance = 3.951 ...[more]

PMID: 24454027

Similar Datasets

Crystal structure of [2,6-di-fluoro-3-(pyridin-2-yl-?N)pyridin-4-yl-?C (4)](pentane-2,4-dionato-?(2) O,O')platinum(II).

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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).

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Crystal structure of mer-tris-{2,6-di-fluoro-3-[5-(2-fluoro-phen-yl)pyridin-2-yl-κN]pyridin-4-yl-κC4}iridium(III) di-chloro-methane hemisolvate n-hexane hemisolvate.

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Project description:The title compound, C19H16F4O4, was prepared by the condensation reaction of 2,6-di-fluoro-benzaldehyde and penta-erythritol. The whole mol-ecule is generated by twofold rotational symmetry. The two six-membered O-heterocycles adopt chair conformations through a shared spiro-carbon atom that is located on the crystallographic twofold rotation axis. In this conformation, the two aromatic rings are located at the equatorial positions of the O-heterocycles. The conformation of this doubly substituted tetra-oxa-spiro system is chiral. In the crystal, mol-ecules are linked by C-H?O hydrogen bonds, forming layers parallel to (100). These layers are linked by C-H?F hydrogen bonds into a three-dimensional structure.

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