The crystal structure of bis{3,5-difluoro-2-[4-(2,4,6-trimethylphenyl)pyridin-2-yl]phenyl}(picolinato)iridium(III) and its 4- tert -butylpyridin-2-yl analogue

Abstract

The crystal structures of bis{3,5-difluoro-2-[4-(2,4,6-trimethylphenyl)pyridin-2-yl]phenyl-κ 2 N,C 1 }(picolinato-κ 2 N,O)iridium(III), [Ir(C 20 H 16 F 2 N) 2 (C 6 H 4 NO 2)], 1, and bis[2-(4-tert-butylpyridin-2-yl)-3,5-difluorophenyl-κ 2 N,C 1 ](picolinato-κ 2 N,O)iridium(III), [Ir(C 15 H 14 F 2 N) 2 (C 6 H 4 NO 2)], 2, are presented herein. These phosphorescent cyclometallated 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 molecule(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 molecules are not considered in the given chemical formula and other crystal data.