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Crystal structure of bis[2-tert-butoxy-6-fluoro-3-(pyridin-2-yl-κN)pyridin-4-yl-κC (4)](pentane-2,4-dionato-κ(2) O,O′)iridium(III)
The title molecule, [Ir(C(14)H(14)FN(2)O)(2)(C(5)H(7)O(2))], is located on a twofold rotation axis, which passes through the Ir(III) atom and the central C atom of the pentane-2,4-dionate anion. The Ir(III) atom adopts a distorted octahedral coordination geometry, being C,N-chelated by two 2-tert-...
Autores principales: | , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2014
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4257303/ https://www.ncbi.nlm.nih.gov/pubmed/25484765 http://dx.doi.org/10.1107/S1600536814022934 |
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author | Park, Ki-Min Kang, Youngjin |
author_facet | Park, Ki-Min Kang, Youngjin |
author_sort | Park, Ki-Min |
collection | PubMed |
description | The title molecule, [Ir(C(14)H(14)FN(2)O)(2)(C(5)H(7)O(2))], is located on a twofold rotation axis, which passes through the Ir(III) atom and the central C atom of the pentane-2,4-dionate anion. The Ir(III) atom adopts a distorted octahedral coordination geometry, being C,N-chelated by two 2-tert-butoxy-6-fluoro-3-(pyridin-2-yl)pyridin-4-yl ligands and O,O′-chelated by the pentane-2,4-dionato ligand. The bipyridinate ligands, which are perpendicular to each other [dihedral angle between the two least-squares planes = 89.95 (5)°], are arranged in a cis-C,C′ and trans-N,N′ fashion relative to the central metal cation. Intramolecular C—H⋯O and C—H⋯N hydrogen bonds and intermolecular C—H⋯F hydrogen bonds as well as π—π interactions between neighbouring pyridine rings [centroid–centroid distance 3.680 (1) Å] contribute to the stabilization of the molecular and crystal structure, respectively. |
format | Online Article Text |
id | pubmed-4257303 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2014 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-42573032014-12-05 Crystal structure of bis[2-tert-butoxy-6-fluoro-3-(pyridin-2-yl-κN)pyridin-4-yl-κC (4)](pentane-2,4-dionato-κ(2) O,O′)iridium(III) Park, Ki-Min Kang, Youngjin Acta Crystallogr Sect E Struct Rep Online Research Communications The title molecule, [Ir(C(14)H(14)FN(2)O)(2)(C(5)H(7)O(2))], is located on a twofold rotation axis, which passes through the Ir(III) atom and the central C atom of the pentane-2,4-dionate anion. The Ir(III) atom adopts a distorted octahedral coordination geometry, being C,N-chelated by two 2-tert-butoxy-6-fluoro-3-(pyridin-2-yl)pyridin-4-yl ligands and O,O′-chelated by the pentane-2,4-dionato ligand. The bipyridinate ligands, which are perpendicular to each other [dihedral angle between the two least-squares planes = 89.95 (5)°], are arranged in a cis-C,C′ and trans-N,N′ fashion relative to the central metal cation. Intramolecular C—H⋯O and C—H⋯N hydrogen bonds and intermolecular C—H⋯F hydrogen bonds as well as π—π interactions between neighbouring pyridine rings [centroid–centroid distance 3.680 (1) Å] contribute to the stabilization of the molecular and crystal structure, respectively. International Union of Crystallography 2014-10-29 /pmc/articles/PMC4257303/ /pubmed/25484765 http://dx.doi.org/10.1107/S1600536814022934 Text en © Park and Kang 2014 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited. |
spellingShingle | Research Communications Park, Ki-Min Kang, Youngjin Crystal structure of bis[2-tert-butoxy-6-fluoro-3-(pyridin-2-yl-κN)pyridin-4-yl-κC (4)](pentane-2,4-dionato-κ(2) O,O′)iridium(III) |
title | Crystal structure of bis[2-tert-butoxy-6-fluoro-3-(pyridin-2-yl-κN)pyridin-4-yl-κC
(4)](pentane-2,4-dionato-κ(2)
O,O′)iridium(III) |
title_full | Crystal structure of bis[2-tert-butoxy-6-fluoro-3-(pyridin-2-yl-κN)pyridin-4-yl-κC
(4)](pentane-2,4-dionato-κ(2)
O,O′)iridium(III) |
title_fullStr | Crystal structure of bis[2-tert-butoxy-6-fluoro-3-(pyridin-2-yl-κN)pyridin-4-yl-κC
(4)](pentane-2,4-dionato-κ(2)
O,O′)iridium(III) |
title_full_unstemmed | Crystal structure of bis[2-tert-butoxy-6-fluoro-3-(pyridin-2-yl-κN)pyridin-4-yl-κC
(4)](pentane-2,4-dionato-κ(2)
O,O′)iridium(III) |
title_short | Crystal structure of bis[2-tert-butoxy-6-fluoro-3-(pyridin-2-yl-κN)pyridin-4-yl-κC
(4)](pentane-2,4-dionato-κ(2)
O,O′)iridium(III) |
title_sort | crystal structure of bis[2-tert-butoxy-6-fluoro-3-(pyridin-2-yl-κn)pyridin-4-yl-κc
(4)](pentane-2,4-dionato-κ(2)
o,o′)iridium(iii) |
topic | Research Communications |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4257303/ https://www.ncbi.nlm.nih.gov/pubmed/25484765 http://dx.doi.org/10.1107/S1600536814022934 |
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