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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

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(...

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Autores principales: Sanner, Robert D., Young, Victor G.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2018
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6176426/
https://www.ncbi.nlm.nih.gov/pubmed/30319803
http://dx.doi.org/10.1107/S2056989018012409
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author Sanner, Robert D.
Young, Victor G.
author_facet Sanner, Robert D.
Young, Victor G.
author_sort Sanner, Robert D.
collection PubMed
description 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.
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spelling pubmed-61764262018-10-12 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 Sanner, Robert D. Young, Victor G. Acta Crystallogr E Crystallogr Commun Research Communications 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. International Union of Crystallography 2018-09-21 /pmc/articles/PMC6176426/ /pubmed/30319803 http://dx.doi.org/10.1107/S2056989018012409 Text en © Sanner and Young Jr 2018 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.http://creativecommons.org/licenses/by/2.0/uk/
spellingShingle Research Communications
Sanner, Robert D.
Young, Victor G.
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
title 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
title_full 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
title_fullStr 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
title_full_unstemmed 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
title_short 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
title_sort 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
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6176426/
https://www.ncbi.nlm.nih.gov/pubmed/30319803
http://dx.doi.org/10.1107/S2056989018012409
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