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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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Formato: | Online Artículo Texto |
Lenguaje: | English |
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International Union of Crystallography
2018
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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. |
format | Online Article Text |
id | pubmed-6176426 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2018 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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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