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Crystal structure of fac-{5-[(hexylazaniumyl)methyl]-2-(pyridin-2-yl)phenyl-κ(2) N,C (1)}bis[2-(pyridin-2-yl)phenyl-κ(2) N,C (1)]iridium(III) chloride
The asymmetric unit of the title compound, fac-[Ir(C(11)H(8)N)(2)(C(18)H(24)N(2))]Cl or fac-[Ir(ppy)(2)(Hppy-NC(6))]Cl, contains two [Ir(ppy)(2)(ppy-NC(6))](H(+)) cations, two Cl(−) anions and disordered solvent. In each complex molecule, the Ir(III) ion is coordinated by two C,N-bidentate 2-(pyrid...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2018
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6176433/ https://www.ncbi.nlm.nih.gov/pubmed/30319796 http://dx.doi.org/10.1107/S2056989018012811 |
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author | Meksawangwong, Sureemas Jiajaroen, Suwadee Chainok, Kittipong Pinyo, Waraporn Kielar, Filip |
author_facet | Meksawangwong, Sureemas Jiajaroen, Suwadee Chainok, Kittipong Pinyo, Waraporn Kielar, Filip |
author_sort | Meksawangwong, Sureemas |
collection | PubMed |
description | The asymmetric unit of the title compound, fac-[Ir(C(11)H(8)N)(2)(C(18)H(24)N(2))]Cl or fac-[Ir(ppy)(2)(Hppy-NC(6))]Cl, contains two [Ir(ppy)(2)(ppy-NC(6))](H(+)) cations, two Cl(−) anions and disordered solvent. In each complex molecule, the Ir(III) ion is coordinated by two C,N-bidentate 2-(pyridin-2-yl)phenyl ligands and one C,N-bidentate N-[4-(pyridin-2-yl)benzyl]hexan-1-aminium ligand, leading to a distorted fac-octahedral coordination environment. In the crystal, the molecules are linked by N—H⋯Cl, C—H⋯π and π–π interactions, forming a three-dimensional supramolecular structure. The hexyl group of one molecule is disordered over two orientations with a refined occupancy ratio of 0.412 (13):0.588 (13). The acetone and hexane solvent molecules were found to be highly disordered and their contribution to the scattering was masked using the solvent-masking routine smtbx.mask in OLEX2 [Rees et al. (2005 ▸). Acta Cryst. D61, 1299–1301]. These solvent molecules are not considered in the given chemical formula and other crystal data. |
format | Online Article Text |
id | pubmed-6176433 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2018 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-61764332018-10-12 Crystal structure of fac-{5-[(hexylazaniumyl)methyl]-2-(pyridin-2-yl)phenyl-κ(2) N,C (1)}bis[2-(pyridin-2-yl)phenyl-κ(2) N,C (1)]iridium(III) chloride Meksawangwong, Sureemas Jiajaroen, Suwadee Chainok, Kittipong Pinyo, Waraporn Kielar, Filip Acta Crystallogr E Crystallogr Commun Research Communications The asymmetric unit of the title compound, fac-[Ir(C(11)H(8)N)(2)(C(18)H(24)N(2))]Cl or fac-[Ir(ppy)(2)(Hppy-NC(6))]Cl, contains two [Ir(ppy)(2)(ppy-NC(6))](H(+)) cations, two Cl(−) anions and disordered solvent. In each complex molecule, the Ir(III) ion is coordinated by two C,N-bidentate 2-(pyridin-2-yl)phenyl ligands and one C,N-bidentate N-[4-(pyridin-2-yl)benzyl]hexan-1-aminium ligand, leading to a distorted fac-octahedral coordination environment. In the crystal, the molecules are linked by N—H⋯Cl, C—H⋯π and π–π interactions, forming a three-dimensional supramolecular structure. The hexyl group of one molecule is disordered over two orientations with a refined occupancy ratio of 0.412 (13):0.588 (13). The acetone and hexane solvent molecules were found to be highly disordered and their contribution to the scattering was masked using the solvent-masking routine smtbx.mask in OLEX2 [Rees et al. (2005 ▸). Acta Cryst. D61, 1299–1301]. These solvent molecules are not considered in the given chemical formula and other crystal data. International Union of Crystallography 2018-09-14 /pmc/articles/PMC6176433/ /pubmed/30319796 http://dx.doi.org/10.1107/S2056989018012811 Text en © Meksawangwong et al. 2018 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 Meksawangwong, Sureemas Jiajaroen, Suwadee Chainok, Kittipong Pinyo, Waraporn Kielar, Filip Crystal structure of fac-{5-[(hexylazaniumyl)methyl]-2-(pyridin-2-yl)phenyl-κ(2) N,C (1)}bis[2-(pyridin-2-yl)phenyl-κ(2) N,C (1)]iridium(III) chloride |
title | Crystal structure of fac-{5-[(hexylazaniumyl)methyl]-2-(pyridin-2-yl)phenyl-κ(2)
N,C
(1)}bis[2-(pyridin-2-yl)phenyl-κ(2)
N,C
(1)]iridium(III) chloride |
title_full | Crystal structure of fac-{5-[(hexylazaniumyl)methyl]-2-(pyridin-2-yl)phenyl-κ(2)
N,C
(1)}bis[2-(pyridin-2-yl)phenyl-κ(2)
N,C
(1)]iridium(III) chloride |
title_fullStr | Crystal structure of fac-{5-[(hexylazaniumyl)methyl]-2-(pyridin-2-yl)phenyl-κ(2)
N,C
(1)}bis[2-(pyridin-2-yl)phenyl-κ(2)
N,C
(1)]iridium(III) chloride |
title_full_unstemmed | Crystal structure of fac-{5-[(hexylazaniumyl)methyl]-2-(pyridin-2-yl)phenyl-κ(2)
N,C
(1)}bis[2-(pyridin-2-yl)phenyl-κ(2)
N,C
(1)]iridium(III) chloride |
title_short | Crystal structure of fac-{5-[(hexylazaniumyl)methyl]-2-(pyridin-2-yl)phenyl-κ(2)
N,C
(1)}bis[2-(pyridin-2-yl)phenyl-κ(2)
N,C
(1)]iridium(III) chloride |
title_sort | crystal structure of fac-{5-[(hexylazaniumyl)methyl]-2-(pyridin-2-yl)phenyl-κ(2)
n,c
(1)}bis[2-(pyridin-2-yl)phenyl-κ(2)
n,c
(1)]iridium(iii) chloride |
topic | Research Communications |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6176433/ https://www.ncbi.nlm.nih.gov/pubmed/30319796 http://dx.doi.org/10.1107/S2056989018012811 |
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