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Crystal structure of bromido-fac-tricarbon­yl[5-phenyl-3-(pyridin-2-yl)-1H-1,2,4-triazole-κ(2) N,N′]rhenium(I)

In the title compound, [ReBr(C(13)H(10)N(4))(CO)(3)], the Re(I) atom has a distorted octa­hedral coordination environment. Two N atoms of the 5-phenyl-3-(pyridin-2-yl)-1H-1,2,4-triazole ligand and two of the three carbonyl groups occupy the equatorial plane of the complex, with the third carbonyl li...

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Autores principales: Piletska, Kseniia, Domasevitch, Konstantin V., Shtemenko, Alexander V.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2014
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4257395/
https://www.ncbi.nlm.nih.gov/pubmed/25552999
http://dx.doi.org/10.1107/S1600536814025604
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author Piletska, Kseniia
Domasevitch, Konstantin V.
Shtemenko, Alexander V.
author_facet Piletska, Kseniia
Domasevitch, Konstantin V.
Shtemenko, Alexander V.
author_sort Piletska, Kseniia
collection PubMed
description In the title compound, [ReBr(C(13)H(10)N(4))(CO)(3)], the Re(I) atom has a distorted octa­hedral coordination environment. Two N atoms of the 5-phenyl-3-(pyridin-2-yl)-1H-1,2,4-triazole ligand and two of the three carbonyl groups occupy the equatorial plane of the complex, with the third carbonyl ligand and the bromide ligand in the axial positions. The three carbonyl ligands are arranged in a fac configuration around the Re(I) atom. Mutual N—H⋯Br hydrogen bonds arrange mol­ecules into centrosymmetric dimers. Additional stabilization within the crystal structure is provided by C—H⋯O and C—H⋯Br hydrogen bonds, as well as by slipped π–π stacking inter­actions [centroid-to-centroid distance = 3.785 (5) Å], defining a three-dimensional network.
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spelling pubmed-42573952014-12-31 Crystal structure of bromido-fac-tricarbon­yl[5-phenyl-3-(pyridin-2-yl)-1H-1,2,4-triazole-κ(2) N,N′]rhenium(I) Piletska, Kseniia Domasevitch, Konstantin V. Shtemenko, Alexander V. Acta Crystallogr Sect E Struct Rep Online Research Communications In the title compound, [ReBr(C(13)H(10)N(4))(CO)(3)], the Re(I) atom has a distorted octa­hedral coordination environment. Two N atoms of the 5-phenyl-3-(pyridin-2-yl)-1H-1,2,4-triazole ligand and two of the three carbonyl groups occupy the equatorial plane of the complex, with the third carbonyl ligand and the bromide ligand in the axial positions. The three carbonyl ligands are arranged in a fac configuration around the Re(I) atom. Mutual N—H⋯Br hydrogen bonds arrange mol­ecules into centrosymmetric dimers. Additional stabilization within the crystal structure is provided by C—H⋯O and C—H⋯Br hydrogen bonds, as well as by slipped π–π stacking inter­actions [centroid-to-centroid distance = 3.785 (5) Å], defining a three-dimensional network. International Union of Crystallography 2014-11-29 /pmc/articles/PMC4257395/ /pubmed/25552999 http://dx.doi.org/10.1107/S1600536814025604 Text en © Piletska et al. 2014 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Research Communications
Piletska, Kseniia
Domasevitch, Konstantin V.
Shtemenko, Alexander V.
Crystal structure of bromido-fac-tricarbon­yl[5-phenyl-3-(pyridin-2-yl)-1H-1,2,4-triazole-κ(2) N,N′]rhenium(I)
title Crystal structure of bromido-fac-tricarbon­yl[5-phenyl-3-(pyridin-2-yl)-1H-1,2,4-triazole-κ(2) N,N′]rhenium(I)
title_full Crystal structure of bromido-fac-tricarbon­yl[5-phenyl-3-(pyridin-2-yl)-1H-1,2,4-triazole-κ(2) N,N′]rhenium(I)
title_fullStr Crystal structure of bromido-fac-tricarbon­yl[5-phenyl-3-(pyridin-2-yl)-1H-1,2,4-triazole-κ(2) N,N′]rhenium(I)
title_full_unstemmed Crystal structure of bromido-fac-tricarbon­yl[5-phenyl-3-(pyridin-2-yl)-1H-1,2,4-triazole-κ(2) N,N′]rhenium(I)
title_short Crystal structure of bromido-fac-tricarbon­yl[5-phenyl-3-(pyridin-2-yl)-1H-1,2,4-triazole-κ(2) N,N′]rhenium(I)
title_sort crystal structure of bromido-fac-tricarbon­yl[5-phenyl-3-(pyridin-2-yl)-1h-1,2,4-triazole-κ(2) n,n′]rhenium(i)
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4257395/
https://www.ncbi.nlm.nih.gov/pubmed/25552999
http://dx.doi.org/10.1107/S1600536814025604
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