Cargando…

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-...

Descripción completa

Detalles Bibliográficos
Autores principales: Park, Ki-Min, Kang, Youngjin
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2014
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
_version_ 1782347723108777984
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
work_keys_str_mv AT parkkimin crystalstructureofbis2tertbutoxy6fluoro3pyridin2ylknpyridin4ylkc4pentane24dionatok2ooiridiumiii
AT kangyoungjin crystalstructureofbis2tertbutoxy6fluoro3pyridin2ylknpyridin4ylkc4pentane24dionatok2ooiridiumiii