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

In the title compound, [ReBr(C(16)H(16)N(4)O(3))(CO)(3)]·CH(3)OH, the Re(I) atom adopts a distorted octa­hedral coordination sphere with a facial arrangement of the three carbonyl ligands. Two N atoms of the chelating 5-(3,4,5-tri­meth­oxy­phen­yl)-3-(pyridin-2-yl)-1H-1,2,4-triazole ligand and two c...

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Autores principales: Kharlova, Marharyta I., Piletska, Kseniia O., Domasevitch, Kostiantyn V., Shtemenko, Alexander V.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2017
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5382604/
https://www.ncbi.nlm.nih.gov/pubmed/28435703
http://dx.doi.org/10.1107/S2056989017003371
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author Kharlova, Marharyta I.
Piletska, Kseniia O.
Domasevitch, Kostiantyn V.
Shtemenko, Alexander V.
author_facet Kharlova, Marharyta I.
Piletska, Kseniia O.
Domasevitch, Kostiantyn V.
Shtemenko, Alexander V.
author_sort Kharlova, Marharyta I.
collection PubMed
description In the title compound, [ReBr(C(16)H(16)N(4)O(3))(CO)(3)]·CH(3)OH, the Re(I) atom adopts a distorted octa­hedral coordination sphere with a facial arrangement of the three carbonyl ligands. Two N atoms of the chelating 5-(3,4,5-tri­meth­oxy­phen­yl)-3-(pyridin-2-yl)-1H-1,2,4-triazole ligand and two carbonyl ligands define the equatorial plane of the complex, with the third carbonyl ligand and the bromide ligand in axial positions. Conventional hydrogen bonds including the methanol solvent mol­ecules assemble the complex mol­ecules through mutual N—H⋯O—H⋯Br links [N⋯O = 2.703 (3) Å and O⋯Br = 3.255 (2) Å] into centrosymmetric dimers, whereas weaker C—H⋯O and C—H⋯Br hydrogen bonds [C⋯O = 3.215 (3)–3.390 (4) Å and C⋯Br = 3.927 (3) Å] connect the dimers into double layers parallel to the (111) plane.
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spelling pubmed-53826042017-04-21 Crystal structure of bromido-fac-tricarbon­yl[5-(3,4,5-tri­meth­oxy­phen­yl)-3-(pyridin-2-yl)-1H-1,2,4-triazole-κ(2) N (2),N (3)]rhenium(I) methanol monosolvate Kharlova, Marharyta I. Piletska, Kseniia O. Domasevitch, Kostiantyn V. Shtemenko, Alexander V. Acta Crystallogr E Crystallogr Commun Research Communications In the title compound, [ReBr(C(16)H(16)N(4)O(3))(CO)(3)]·CH(3)OH, the Re(I) atom adopts a distorted octa­hedral coordination sphere with a facial arrangement of the three carbonyl ligands. Two N atoms of the chelating 5-(3,4,5-tri­meth­oxy­phen­yl)-3-(pyridin-2-yl)-1H-1,2,4-triazole ligand and two carbonyl ligands define the equatorial plane of the complex, with the third carbonyl ligand and the bromide ligand in axial positions. Conventional hydrogen bonds including the methanol solvent mol­ecules assemble the complex mol­ecules through mutual N—H⋯O—H⋯Br links [N⋯O = 2.703 (3) Å and O⋯Br = 3.255 (2) Å] into centrosymmetric dimers, whereas weaker C—H⋯O and C—H⋯Br hydrogen bonds [C⋯O = 3.215 (3)–3.390 (4) Å and C⋯Br = 3.927 (3) Å] connect the dimers into double layers parallel to the (111) plane. International Union of Crystallography 2017-03-10 /pmc/articles/PMC5382604/ /pubmed/28435703 http://dx.doi.org/10.1107/S2056989017003371 Text en © Kharlova 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
Kharlova, Marharyta I.
Piletska, Kseniia O.
Domasevitch, Kostiantyn V.
Shtemenko, Alexander V.
Crystal structure of bromido-fac-tricarbon­yl[5-(3,4,5-tri­meth­oxy­phen­yl)-3-(pyridin-2-yl)-1H-1,2,4-triazole-κ(2) N (2),N (3)]rhenium(I) methanol monosolvate
title Crystal structure of bromido-fac-tricarbon­yl[5-(3,4,5-tri­meth­oxy­phen­yl)-3-(pyridin-2-yl)-1H-1,2,4-triazole-κ(2) N (2),N (3)]rhenium(I) methanol monosolvate
title_full Crystal structure of bromido-fac-tricarbon­yl[5-(3,4,5-tri­meth­oxy­phen­yl)-3-(pyridin-2-yl)-1H-1,2,4-triazole-κ(2) N (2),N (3)]rhenium(I) methanol monosolvate
title_fullStr Crystal structure of bromido-fac-tricarbon­yl[5-(3,4,5-tri­meth­oxy­phen­yl)-3-(pyridin-2-yl)-1H-1,2,4-triazole-κ(2) N (2),N (3)]rhenium(I) methanol monosolvate
title_full_unstemmed Crystal structure of bromido-fac-tricarbon­yl[5-(3,4,5-tri­meth­oxy­phen­yl)-3-(pyridin-2-yl)-1H-1,2,4-triazole-κ(2) N (2),N (3)]rhenium(I) methanol monosolvate
title_short Crystal structure of bromido-fac-tricarbon­yl[5-(3,4,5-tri­meth­oxy­phen­yl)-3-(pyridin-2-yl)-1H-1,2,4-triazole-κ(2) N (2),N (3)]rhenium(I) methanol monosolvate
title_sort crystal structure of bromido-fac-tricarbon­yl[5-(3,4,5-tri­meth­oxy­phen­yl)-3-(pyridin-2-yl)-1h-1,2,4-triazole-κ(2) n (2),n (3)]rhenium(i) methanol monosolvate
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5382604/
https://www.ncbi.nlm.nih.gov/pubmed/28435703
http://dx.doi.org/10.1107/S2056989017003371
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