(2,9-Dimethyl-1,10-phenanthroline)bis[2-(pyridin-2-yl)phenyl]iridium(III) hexafluorophosphate and (2,9-dimethyl-1,10-phenanthroline)bis[5-methyl-2-(pyridin-2-yl)phenyl]iridium(III) hexafluorophosphate–diethyl ether–acetonitrile (1/0.61/0.78)

IF 0.5 Q4 CRYSTALLOGRAPHY

Acta Crystallographica Section E: Crystallographic Communications Pub Date : 2025-02-01 DOI:10.1107/S2056989024012039

Trevor J. Gienau , Malachi Clay , William W. Brennessel , Carly R. Reed

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引用次数: 0

Abstract

The title compounds exhibit Ir—C and Ir—N bond lengths typical of cyclometallated iridium compounds with phenylpyridine ligands. Methylation of the phenanthroline ligand leads to longer Ir—N bond lengths compared to the unmethylated analog.

The title compounds, [Ir(C₁₄H₁₂N₂)(C₁₁H₈N)₂]PF₆ (1) and [Ir(C₁₄H₁₂N₂)(C₁₂H₁₀N)₂]PF₆·0.61C₂H₁₀O·0.78CH₃CN (2), crystallize in the space groups Pbca and P1, respectively, each structure containing one monocationic Ir complex and one PF₆⁻ anion in the asymmetric unit. The anion and solvent in compound 2 are disordered. The Ir—N(phenanthroline) bond lengths of ca. 2.21 Å indicate a greater steric effect of the 2,9-dimethyl-1,10-phenanthroline ligand compared to 1,10-phenanthroline. Both structures show offset parallel intermolecular π–π interactions between the pyridine rings of the phenanthroline ligands, and that of 1 also exhibits similar interactions between the phenyl and pyridine rings of the phenylpyridine ligands.

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来源期刊

Acta Crystallographica Section E: Crystallographic Communications Chemistry-Chemistry (all)

CiteScore

1.90

自引率

0.00%

发文量

351

审稿时长

3 weeks

期刊介绍： Acta Crystallographica Section E: Crystallographic Communications is the IUCr''s open-access structural communications journal. It provides a fast, simple and easily accessible publication mechanism for crystal structure determinations of inorganic, metal-organic and organic compounds. The electronic submission, validation, refereeing and publication facilities of the journal ensure rapid and high-quality publication of fully validated structures. The primary article category is Research Communications; these are peer-reviewed articles describing one or more structure determinations with appropriate discussion of the science.

(2,9-Dimethyl-1,10-phenanthroline)bis­[2-(pyridin-2-yl)phen­yl]iridium(III) hexa­fluoro­phosphate and (2,9-dimethyl-1,10-phenanthroline)bis­[5-methyl-2-(pyridin-2-yl)phen­yl]iridium(III) hexa­fluoro­phosphate–diethyl ether–aceto­nitrile (1/0.61/0.78)

Abstract

(2,9-Dimethyl-1,10-phenanthroline)bis[2-(pyridin-2-yl)phenyl]iridium(III) hexafluorophosphate and (2,9-dimethyl-1,10-phenanthroline)bis[5-methyl-2-(pyridin-2-yl)phenyl]iridium(III) hexafluorophosphate–diethyl ether–acetonitrile (1/0.61/0.78)