The crystal structure of bis-{3,5-di-fluoro-2-[4-(2,4,6-tri-methyl-phen-yl)pyridin-2-yl]phen-yl}(picolinato)iridium(III) and its 4-tert-butyl-pyridin-2-yl analogue.

ABSTRACT: The crystal structures of bis-{3,5-di-fluoro-2-[4-(2,4,6-tri-methyl-phen-yl)pyridin-2-yl]phenyl-?² N,C ¹}(picolinato-?² N,O)iridium(III), [Ir(C₂₀H₁₆F₂N)₂(C₆H₄NO₂)], 1, and bis-[2-(4-tert-butyl-pyridin-2-yl)-3,5-di-fluoro-phenyl-?² N,C ¹](picolinato-?² N,O)iridium(III), [Ir(C₁₅H₁₄F₂N)₂(C₆H₄NO₂)], 2, are presented herein. These phospho-rescent cyclo-metallated iridium(III) compounds have been structurally investigated in order to better understand the nature of their blue-shifted emssions while maintaining high quantum yields. Compound 1 exhibits substantial twisting of the mesitylene rings out of the plane of the attached pyridine ring, with dihedral angles of 67.0?(1) and 78.7?(1)° between the best mean planes. For both compounds, the contribution of disordered solvent mol-ecule(s) was removed using the SQUEEZE [Spek (2015 ?). Acta Cryst. C71, 9-18] routine in PLATON [Spek (2015 ?). Acta Cryst. C71, 9-18]. These solvent mol-ecules are not considered in the given chemical formula and other crystal data.

SUBMITTER: Sanner RD 

PROVIDER: S-EPMC6176426 | biostudies-literature | 2018 Oct

REPOSITORIES: biostudies-literature