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Crystal structure of mer-tris­{2,6-di­fluoro-3-[5-(2-fluoro­phen­yl)pyridin-2-yl-κN]pyridin-4-yl-κC (4)}iridium(III) di­chloro­methane hemisolvate n-hexane hemisolvate

The asymmetric unit of the title compound, [Ir(C(17)H(11)F(2)N(2))(3)]·0.5CH(3)(CH(2))(4)CH(3)·0.5CH(2)Cl(2), comprises one Ir(III) atom, three 2,6-di­fluoro-3-[5-(2-fluoro­phen­yl)pyridin-2-yl]pyridin-4-yl ligands and half each of an n-hexane and a di­chloro­methane solvent mol­ecule located about...

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Detalles Bibliográficos
Autores principales: Kang, Youngjin, Park, Ki-Min, Kim, Jinho
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2017
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5730259/
https://www.ncbi.nlm.nih.gov/pubmed/29250422
http://dx.doi.org/10.1107/S2056989017016759
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author Kang, Youngjin
Park, Ki-Min
Kim, Jinho
author_facet Kang, Youngjin
Park, Ki-Min
Kim, Jinho
author_sort Kang, Youngjin
collection PubMed
description The asymmetric unit of the title compound, [Ir(C(17)H(11)F(2)N(2))(3)]·0.5CH(3)(CH(2))(4)CH(3)·0.5CH(2)Cl(2), comprises one Ir(III) atom, three 2,6-di­fluoro-3-[5-(2-fluoro­phen­yl)pyridin-2-yl]pyridin-4-yl ligands and half each of an n-hexane and a di­chloro­methane solvent mol­ecule located about crystallographic inversion centres. The Ir(III) atom displays a distorted octa­hedral coordination geometry, having three C,N-chelating 2,6-di­fluoro-3-[5-(2-fluoro­phen­yl)pyridin-2-yl]pyridin-4-yl ligands arranged in a meridional manner. The Ir(III) ion lies almost in the equatorial plane [deviation = 0.0069 (15) Å]. The average distance [2.041 (3) Å] of Ir—C bonds is slightly shorter than that [2.076 (3) Å] of Ir—N bonds. A variety of intra- and inter­molecular C—H⋯F and C—H⋯π hydrogen bonds, as well as inter­molecular C—F⋯π inter­actions, contribute to the stabilization of the mol­ecular and crystal structures, and result in the formation of a two-dimensional network parallel to the ab plane. No inter­actions between n-hexane solvent mol­ecules and the other components in the title compound are observed.
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spelling pubmed-57302592017-12-15 Crystal structure of mer-tris­{2,6-di­fluoro-3-[5-(2-fluoro­phen­yl)pyridin-2-yl-κN]pyridin-4-yl-κC (4)}iridium(III) di­chloro­methane hemisolvate n-hexane hemisolvate Kang, Youngjin Park, Ki-Min Kim, Jinho Acta Crystallogr E Crystallogr Commun Research Communications The asymmetric unit of the title compound, [Ir(C(17)H(11)F(2)N(2))(3)]·0.5CH(3)(CH(2))(4)CH(3)·0.5CH(2)Cl(2), comprises one Ir(III) atom, three 2,6-di­fluoro-3-[5-(2-fluoro­phen­yl)pyridin-2-yl]pyridin-4-yl ligands and half each of an n-hexane and a di­chloro­methane solvent mol­ecule located about crystallographic inversion centres. The Ir(III) atom displays a distorted octa­hedral coordination geometry, having three C,N-chelating 2,6-di­fluoro-3-[5-(2-fluoro­phen­yl)pyridin-2-yl]pyridin-4-yl ligands arranged in a meridional manner. The Ir(III) ion lies almost in the equatorial plane [deviation = 0.0069 (15) Å]. The average distance [2.041 (3) Å] of Ir—C bonds is slightly shorter than that [2.076 (3) Å] of Ir—N bonds. A variety of intra- and inter­molecular C—H⋯F and C—H⋯π hydrogen bonds, as well as inter­molecular C—F⋯π inter­actions, contribute to the stabilization of the mol­ecular and crystal structures, and result in the formation of a two-dimensional network parallel to the ab plane. No inter­actions between n-hexane solvent mol­ecules and the other components in the title compound are observed. International Union of Crystallography 2017-11-28 /pmc/articles/PMC5730259/ /pubmed/29250422 http://dx.doi.org/10.1107/S2056989017016759 Text en © Kang et al. 2017 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
Kang, Youngjin
Park, Ki-Min
Kim, Jinho
Crystal structure of mer-tris­{2,6-di­fluoro-3-[5-(2-fluoro­phen­yl)pyridin-2-yl-κN]pyridin-4-yl-κC (4)}iridium(III) di­chloro­methane hemisolvate n-hexane hemisolvate
title Crystal structure of mer-tris­{2,6-di­fluoro-3-[5-(2-fluoro­phen­yl)pyridin-2-yl-κN]pyridin-4-yl-κC (4)}iridium(III) di­chloro­methane hemisolvate n-hexane hemisolvate
title_full Crystal structure of mer-tris­{2,6-di­fluoro-3-[5-(2-fluoro­phen­yl)pyridin-2-yl-κN]pyridin-4-yl-κC (4)}iridium(III) di­chloro­methane hemisolvate n-hexane hemisolvate
title_fullStr Crystal structure of mer-tris­{2,6-di­fluoro-3-[5-(2-fluoro­phen­yl)pyridin-2-yl-κN]pyridin-4-yl-κC (4)}iridium(III) di­chloro­methane hemisolvate n-hexane hemisolvate
title_full_unstemmed Crystal structure of mer-tris­{2,6-di­fluoro-3-[5-(2-fluoro­phen­yl)pyridin-2-yl-κN]pyridin-4-yl-κC (4)}iridium(III) di­chloro­methane hemisolvate n-hexane hemisolvate
title_short Crystal structure of mer-tris­{2,6-di­fluoro-3-[5-(2-fluoro­phen­yl)pyridin-2-yl-κN]pyridin-4-yl-κC (4)}iridium(III) di­chloro­methane hemisolvate n-hexane hemisolvate
title_sort crystal structure of mer-tris­{2,6-di­fluoro-3-[5-(2-fluoro­phen­yl)pyridin-2-yl-κn]pyridin-4-yl-κc (4)}iridium(iii) di­chloro­methane hemisolvate n-hexane hemisolvate
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5730259/
https://www.ncbi.nlm.nih.gov/pubmed/29250422
http://dx.doi.org/10.1107/S2056989017016759
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