（2,9-二甲基-1,10-菲罗啉）双-[2-（吡啶-2-基）苯基]铱（III）六氟磷酸和（2,9-二甲基-1,10-菲罗啉）双-[5-甲基-2-（吡啶-2-基）苯基]铱（III）六氟磷酸-二乙醚-乙酰腈（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

摘要

标题化合物[Ir(C14H12N2)(C11H8N)2]PF6(1)和[Ir(C14H12N2)(C12H10N)2]PF6·0.61C2H10O·0.78CH3CN(2)分别在Pbca和P1空间基团中结晶，每个结构在不对称单元中含有一个单离子Ir配合物和一个PF6 -阴离子。化合物2中的阴离子和溶剂是无序的。Ir-N（菲罗啉）键长约2.21 Å表明2,9-二甲基-1,10-菲罗啉配体与1,10-菲罗啉配体相比具有更大的立体效应。这两种结构在邻菲罗啉配体的吡啶环之间表现出偏移平行的分子间π-π相互作用，并且1的苯基-吡啶配体的苯基环和吡啶环之间也表现出类似的相互作用。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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(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)

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.