(4-Benzyl-1-methyl-1,2,4-triazol-5-yl­idene)[(1,2,5,6-η)-cyclo­octa-1,5-diene](tri­phenyl­phosphane-κP)iridium(I) tetra­fluorido­borate

A new triazole-based N-heterocyclic carbene iridium(I) cationic complex with a tetra­fluorido­borate counter-anion, [Ir(C(10)H(11)N(3))(C(8)H(12))(C(18)H(15)P)]BF(4), has been synthesized and structurally characterized. The cationic complex exhibits a distorted square-planar environment around the I...

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Autores principales: Newman, Elliott B., Astashkin, Andrei V., Albert, Daniel R., Rajaseelan, Edward
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2021
Materias:
Data Reports
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9462361/
https://www.ncbi.nlm.nih.gov/pubmed/36339453
http://dx.doi.org/10.1107/S2414314621008361
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author Newman, Elliott B.
Astashkin, Andrei V.
Albert, Daniel R.
Rajaseelan, Edward
author_facet Newman, Elliott B.
Astashkin, Andrei V.
Albert, Daniel R.
Rajaseelan, Edward
author_sort Newman, Elliott B.
collection PubMed
description A new triazole-based N-heterocyclic carbene iridium(I) cationic complex with a tetra­fluorido­borate counter-anion, [Ir(C(10)H(11)N(3))(C(8)H(12))(C(18)H(15)P)]BF(4), has been synthesized and structurally characterized. The cationic complex exhibits a distorted square-planar environment around the Ir(I) ion. One significant non-standard hydrogen-bonding inter­action exists between a hydrogen atom on the N-heterocyclic carbene ligand and a fluorine atom from the counter-ion, BF(4) (−). In the crystal, π–π stacking inter­actions are observed between one of the phenyl rings and the triazole ring. Both inter­molecular and intra­molecular C—H⋯π(ring) inter­actions are also observed. [Image: see text]
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spelling pubmed-94623612022-11-04 (4-Benzyl-1-methyl-1,2,4-triazol-5-yl­idene)[(1,2,5,6-η)-cyclo­octa-1,5-diene](tri­phenyl­phosphane-κP)iridium(I) tetra­fluorido­borate Newman, Elliott B. Astashkin, Andrei V. Albert, Daniel R. Rajaseelan, Edward IUCrdata Data Reports A new triazole-based N-heterocyclic carbene iridium(I) cationic complex with a tetra­fluorido­borate counter-anion, [Ir(C(10)H(11)N(3))(C(8)H(12))(C(18)H(15)P)]BF(4), has been synthesized and structurally characterized. The cationic complex exhibits a distorted square-planar environment around the Ir(I) ion. One significant non-standard hydrogen-bonding inter­action exists between a hydrogen atom on the N-heterocyclic carbene ligand and a fluorine atom from the counter-ion, BF(4) (−). In the crystal, π–π stacking inter­actions are observed between one of the phenyl rings and the triazole ring. Both inter­molecular and intra­molecular C—H⋯π(ring) inter­actions are also observed. [Image: see text] International Union of Crystallography 2021-08-17 /pmc/articles/PMC9462361/ /pubmed/36339453 http://dx.doi.org/10.1107/S2414314621008361 Text en © Newman et al. 2021 https://creativecommons.org/licenses/by/4.0/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.
spellingShingle Data Reports
Newman, Elliott B.
Astashkin, Andrei V.
Albert, Daniel R.
Rajaseelan, Edward
(4-Benzyl-1-methyl-1,2,4-triazol-5-yl­idene)[(1,2,5,6-η)-cyclo­octa-1,5-diene](tri­phenyl­phosphane-κP)iridium(I) tetra­fluorido­borate
title (4-Benzyl-1-methyl-1,2,4-triazol-5-yl­idene)[(1,2,5,6-η)-cyclo­octa-1,5-diene](tri­phenyl­phosphane-κP)iridium(I) tetra­fluorido­borate
title_full (4-Benzyl-1-methyl-1,2,4-triazol-5-yl­idene)[(1,2,5,6-η)-cyclo­octa-1,5-diene](tri­phenyl­phosphane-κP)iridium(I) tetra­fluorido­borate
title_fullStr (4-Benzyl-1-methyl-1,2,4-triazol-5-yl­idene)[(1,2,5,6-η)-cyclo­octa-1,5-diene](tri­phenyl­phosphane-κP)iridium(I) tetra­fluorido­borate
title_full_unstemmed (4-Benzyl-1-methyl-1,2,4-triazol-5-yl­idene)[(1,2,5,6-η)-cyclo­octa-1,5-diene](tri­phenyl­phosphane-κP)iridium(I) tetra­fluorido­borate
title_short (4-Benzyl-1-methyl-1,2,4-triazol-5-yl­idene)[(1,2,5,6-η)-cyclo­octa-1,5-diene](tri­phenyl­phosphane-κP)iridium(I) tetra­fluorido­borate
title_sort (4-benzyl-1-methyl-1,2,4-triazol-5-yl­idene)[(1,2,5,6-η)-cyclo­octa-1,5-diene](tri­phenyl­phosphane-κp)iridium(i) tetra­fluorido­borate
topic Data Reports
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9462361/
https://www.ncbi.nlm.nih.gov/pubmed/36339453
http://dx.doi.org/10.1107/S2414314621008361
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