Cargando…

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...

Descripción completa

Detalles Bibliográficos
Autores principales: Meksawangwong, Sureemas, Jiajaroen, Suwadee, Chainok, Kittipong, Pinyo, Waraporn, Kielar, Filip
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2018
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
_version_ 1783361701147574272
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
work_keys_str_mv AT meksawangwongsureemas crystalstructureoffac5hexylazaniumylmethyl2pyridin2ylphenylk2nc1bis2pyridin2ylphenylk2nc1iridiumiiichloride
AT jiajaroensuwadee crystalstructureoffac5hexylazaniumylmethyl2pyridin2ylphenylk2nc1bis2pyridin2ylphenylk2nc1iridiumiiichloride
AT chainokkittipong crystalstructureoffac5hexylazaniumylmethyl2pyridin2ylphenylk2nc1bis2pyridin2ylphenylk2nc1iridiumiiichloride
AT pinyowaraporn crystalstructureoffac5hexylazaniumylmethyl2pyridin2ylphenylk2nc1bis2pyridin2ylphenylk2nc1iridiumiiichloride
AT kielarfilip crystalstructureoffac5hexylazaniumylmethyl2pyridin2ylphenylk2nc1bis2pyridin2ylphenylk2nc1iridiumiiichloride