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 R.D.; Young Jr V.G.

首页> 外文期刊>Acta Crystallographica Section E: Crystallographic Communications >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

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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

机译：双{3,5-二氟-2- [4-（2,4,6-三甲基苯基）吡啶-2-基]苯基}（吡啶啉）铱（III）和其4-叔丁基吡啶-2的晶体结构-yl类似物

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The crystal structures of bis{3,5-difluoro-2-[4-(2,4,6-trimethylphenyl)pyridin-2-yl]phenyl-κ2N,C1}(picolinato-κ2N,O)iridium(III), [Ir(C20H16F2N)2(C6H4NO2)], 1, and bis[2-(4-tert-butylpyridin-2-yl)-3,5-difluorophenyl-κ2N,C1](picolinato-κ2N,O)iridium(III), [Ir(C15H14F2N)2(C6H4NO2)], 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.

机译：双{3,5-二氟-2- [4-（2,4,6-三甲基苯基）吡啶-2-基]苯基-κ2N，C1}（picolinato-κ2N，O）铱（III）的晶体结构， [Ir（C20H16F2N）2（C6H4NO2）]，1和双[2-（4-叔丁基吡啶-2-基）-3,5-二氟苯基-κ2N，C1]（吡啶啉-κ2N，O）铱（III ），[Ir（C15H14F2N）2（C6H4NO2）]，在此显示。为了更好地了解其蓝移发光的性质，同时保持高量子产率，对这些磷光的环金属化铱（III）化合物进行了结构研究。化合物1显示出1，3，5-苯三甲基环从所连接的吡啶环的平面上充分扭曲，最佳平均平面之间的二面角为67.0°（1）和78.7°（1）°。对于这两种化合物，使用SQUEEZE [Spek（2015）消除了无序溶剂分子的作用。 Acta Cryst。 C71，9–18]在PLATON [Spek（2015）中的例程。 Acta Cryst。 C71，9-18]。在给定的化学式和其他晶体数据中未考虑这些溶剂分子。

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《Acta Crystallographica Section E: Crystallographic Communications》 |2018年第10期|共4页
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Sanner R.D.; Young Jr V.G.;
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中图分类晶体学;
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CRYSTAL STRUCTUREORGANIC LIGHT-EMITTING DIODEORGANOMETALLIC LIGHT EMITTERLUMINESCENT IRIDIUM COMPLEXPOLYMORPHCYCLOMETALLATED IRIDIUM COMPLEX;

机译：晶体结构有机发光二氧化钛有机光发光铱络合物聚甲基丙烯酸络合物;

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机译：叠氮基（η5-五甲基环戊二烯基）[2-（吡啶-2-基）苯基]铱（III）
2. Azido(η5-pentamethylcyclopentadienyl)[2-(pyridin-2-yl)phenyl]iridium(III) [J] . Ariyoshi K., Suzuki T. Acta Crystallographica Section E: Crystallographic Communications . 2013,第10期

机译：叠氮基（η5-五甲基环戊二烯基）[2-（吡啶-2-基）苯基]铱（III）
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4. Crystal structure analysis of 4-(3'-hydroxy-2', 3'-dihydro-benzobfuran-2-yl)-7-methylcoumarin [C] . Naresh Sharma National Conference on Recent Advances in Experimental and Theoretical Physics . 2018

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5. The crystal structure of bis{35-difluoro-2-4-(246-trimethylphenyl)pyridin-2-ylphenyl}(picolinato)iridium(III) and its 4-tert-butylpyridin-2-yl analogue [O] . Robert D. Sanner, Victor G. Young Jr 2018

机译：双{35-二氟-2- 4-（246-三甲基苯基）吡啶-2-基苯基}（吡啶啉）铱（III）及其4-叔丁基吡啶-2的晶体结构-yl类似物
6. Crystal structure of chlorido(dimethyl sulfoxide-κS)bis[4-(pyridin-2-yl)benzaldehyde-κ3C2,N]iridium(III) acetonitrile monosolvate [O] . Andrew J. Peloquin, Madelyn B. Smith, Gary J. Balaich, 2017

机译：氯代（二甲基亚砜-κs）双[4-（吡啶-2-基）苯甲醛-κ3C2，N]铱（III）乙腈单溶剂化物的晶体结构

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

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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