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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...
Autores principales: | , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2017
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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. |
format | Online Article Text |
id | pubmed-5730259 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2017 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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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