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Crystal structure of fac-aqua[(E)-4-(benzo[d]thiazol-2-yl)-N-(pyridin-2-ylmethylidene)aniline-κ(2) N,N′]tricarbonylrhenium(I) hexafluoridophosphate methanol monosolvate
In the title compound, fac-[Re(C(19)H(13)N(3)S)(CO)(3)(H(2)O)]PF(6)·CH(3)OH, the coordination environment of the Re(I) atom is octahedral with a C(3)N(2)O coordination set. In this molecule, the N,N′ bidentate ligand, (E)-4-(benzo[d]thiazol-2-yl)-N-(pyridin-2-ylmethylidene)aniline, and the mono...
Autores principales: | , , , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2019
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6505602/ https://www.ncbi.nlm.nih.gov/pubmed/31110790 http://dx.doi.org/10.1107/S2056989019004298 |
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author | Roupa, Ioanna Kaplanis, Michael Raptopoulou, Catherine Pelecanou, Maria Pirmettis, Ioannis Papadopoulos, Minas Psycharis, Vassilis |
author_facet | Roupa, Ioanna Kaplanis, Michael Raptopoulou, Catherine Pelecanou, Maria Pirmettis, Ioannis Papadopoulos, Minas Psycharis, Vassilis |
author_sort | Roupa, Ioanna |
collection | PubMed |
description | In the title compound, fac-[Re(C(19)H(13)N(3)S)(CO)(3)(H(2)O)]PF(6)·CH(3)OH, the coordination environment of the Re(I) atom is octahedral with a C(3)N(2)O coordination set. In this molecule, the N,N′ bidentate ligand, (E)-4-(benzo[d]thiazol-2-yl)-N-(pyridin-2-ylmethylidene)aniline, and the monodentate aqua ligand occupy the three available coordination sites of the [Re(CO)(3)](+) core, generating a ‘2 + 1’ mixed-ligand complex. In this complex, the Re—C bonds of the carbonyl ligands trans to the coordinating N,N′ atoms of the bidentate ligand are longer than the Re—C bond of the carbonyl group trans to the aqua ligand, in accordance with the intensity of their trans effects. The complex is positively charged with PF(6) (−) as the counter-ion. In the structure, the complexes form dimers through π–π intermolecular interactions. O—H⋯O and O—H⋯N hydrogen bonds lead to the formation of stacks parallel to the a axis, which further extend into layers parallel to (0[Image: see text]1). Through O—H⋯F hydrogen bonds between the complexes and the PF(6) (−)counter-anions, a three-dimensional network is established. |
format | Online Article Text |
id | pubmed-6505602 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2019 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-65056022019-05-20 Crystal structure of fac-aqua[(E)-4-(benzo[d]thiazol-2-yl)-N-(pyridin-2-ylmethylidene)aniline-κ(2) N,N′]tricarbonylrhenium(I) hexafluoridophosphate methanol monosolvate Roupa, Ioanna Kaplanis, Michael Raptopoulou, Catherine Pelecanou, Maria Pirmettis, Ioannis Papadopoulos, Minas Psycharis, Vassilis Acta Crystallogr E Crystallogr Commun Research Communications In the title compound, fac-[Re(C(19)H(13)N(3)S)(CO)(3)(H(2)O)]PF(6)·CH(3)OH, the coordination environment of the Re(I) atom is octahedral with a C(3)N(2)O coordination set. In this molecule, the N,N′ bidentate ligand, (E)-4-(benzo[d]thiazol-2-yl)-N-(pyridin-2-ylmethylidene)aniline, and the monodentate aqua ligand occupy the three available coordination sites of the [Re(CO)(3)](+) core, generating a ‘2 + 1’ mixed-ligand complex. In this complex, the Re—C bonds of the carbonyl ligands trans to the coordinating N,N′ atoms of the bidentate ligand are longer than the Re—C bond of the carbonyl group trans to the aqua ligand, in accordance with the intensity of their trans effects. The complex is positively charged with PF(6) (−) as the counter-ion. In the structure, the complexes form dimers through π–π intermolecular interactions. O—H⋯O and O—H⋯N hydrogen bonds lead to the formation of stacks parallel to the a axis, which further extend into layers parallel to (0[Image: see text]1). Through O—H⋯F hydrogen bonds between the complexes and the PF(6) (−)counter-anions, a three-dimensional network is established. International Union of Crystallography 2019-04-05 /pmc/articles/PMC6505602/ /pubmed/31110790 http://dx.doi.org/10.1107/S2056989019004298 Text en © Roupa et al. 2019 http://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.http://creativecommons.org/licenses/by/4.0/ |
spellingShingle | Research Communications Roupa, Ioanna Kaplanis, Michael Raptopoulou, Catherine Pelecanou, Maria Pirmettis, Ioannis Papadopoulos, Minas Psycharis, Vassilis Crystal structure of fac-aqua[(E)-4-(benzo[d]thiazol-2-yl)-N-(pyridin-2-ylmethylidene)aniline-κ(2) N,N′]tricarbonylrhenium(I) hexafluoridophosphate methanol monosolvate |
title | Crystal structure of fac-aqua[(E)-4-(benzo[d]thiazol-2-yl)-N-(pyridin-2-ylmethylidene)aniline-κ(2)
N,N′]tricarbonylrhenium(I) hexafluoridophosphate methanol monosolvate |
title_full | Crystal structure of fac-aqua[(E)-4-(benzo[d]thiazol-2-yl)-N-(pyridin-2-ylmethylidene)aniline-κ(2)
N,N′]tricarbonylrhenium(I) hexafluoridophosphate methanol monosolvate |
title_fullStr | Crystal structure of fac-aqua[(E)-4-(benzo[d]thiazol-2-yl)-N-(pyridin-2-ylmethylidene)aniline-κ(2)
N,N′]tricarbonylrhenium(I) hexafluoridophosphate methanol monosolvate |
title_full_unstemmed | Crystal structure of fac-aqua[(E)-4-(benzo[d]thiazol-2-yl)-N-(pyridin-2-ylmethylidene)aniline-κ(2)
N,N′]tricarbonylrhenium(I) hexafluoridophosphate methanol monosolvate |
title_short | Crystal structure of fac-aqua[(E)-4-(benzo[d]thiazol-2-yl)-N-(pyridin-2-ylmethylidene)aniline-κ(2)
N,N′]tricarbonylrhenium(I) hexafluoridophosphate methanol monosolvate |
title_sort | crystal structure of fac-aqua[(e)-4-(benzo[d]thiazol-2-yl)-n-(pyridin-2-ylmethylidene)aniline-κ(2)
n,n′]tricarbonylrhenium(i) hexafluoridophosphate methanol monosolvate |
topic | Research Communications |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6505602/ https://www.ncbi.nlm.nih.gov/pubmed/31110790 http://dx.doi.org/10.1107/S2056989019004298 |
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