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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...

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Autores principales: Roupa, Ioanna, Kaplanis, Michael, Raptopoulou, Catherine, Pelecanou, Maria, Pirmettis, Ioannis, Papadopoulos, Minas, Psycharis, Vassilis
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2019
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.
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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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