Crystal structure of (2,2′-bipyridyl)[2,6-bis(1-butyl-1H-benzimidazol-2-yl)pyridine]chloridoiridium(III) trifluoromethanesulfonate

Acta Crystallographica Section E: Crystallographic Communications

Mohammad Nozari¹  Victoria I. Smith¹  Anthony W. Addison¹  Matthias Zeller² 

[1] Department of Chemistry, Drexel University, 3141 Chestnut St., Philadelphia, PA, 19104, USA;Department of Chemistry, Youngstown State University, One University Plaza, Youngstown, OH 44555-3663, USA;

关键词: crystal structure;    iridium complex;    2,6-bis(N-butylbenzimidazol-2′-yl)pyridine;    2,2′-bipyridine;    π–π interactions;   

DOI  :  10.1107/S205698901700010X

来源: DOAJ

【 摘 要 】

The title complex compound, [Ir(C27H29N5)Cl(C10H8N2)](CF3SO3)2, was synthesized for a study of iridium(III)/periodate redox systems in water. The coordination geometry of the complex can be best described as distorted octahedral, with an r.m.s. deviation of 8.8 (8)% from ideal octahedral rectangular geometry. In the crystal, C—H...O and C—H...F interactions between the complex cation and the trifluoromethanesulfonate anions are observed, as well as a C—H...Cl intermolecular interaction between neighboring complex cations. In addition, the benzimidazole ring systems display parallel-displaced π–π stacking with centroid–centroid distances of 3.585 (3)–3.907 (3) Å. One of the two trifluoromethanesulfonate anions is disordered over two orientations with an occupancy ratio of 0.582 (6):0.418 (6). The title complex was characterized using FT–IR, cyclic voltammetry/rotating disc electrode polarography, fluorescence spectrometry, high resolution mass spectrometry, CHN elemental analysis and 1H NMR spectroscopy.

【 授权许可】

Unknown