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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...
Autores principales: | , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2017
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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. |
format | Online Article Text |
id | pubmed-5382604 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2017 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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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