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fac-[N,N′-Bis(3-chloro-2-fluoro­benzyl­idene)ethyl­enediamine]bromido­tri­carbonyl­rhenium(I)

In the title compound, [ReBr(C(16)H(12)Cl(2)F(2)N(2))(CO)(3)], the Re atom is in a slightly distorted octa­hedral coordination environment with the three carbonyl ligands having a fac configuration. The diimine ligand is equatorial and is bonded to the Re centre in an N,N′-bidentate chelating fashio...

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Autores principales: Kia, Reza, Fun, Hoong-Kun
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2009
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2968185/
https://www.ncbi.nlm.nih.gov/pubmed/21581793
http://dx.doi.org/10.1107/S1600536809001044
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author Kia, Reza
Fun, Hoong-Kun
author_facet Kia, Reza
Fun, Hoong-Kun
author_sort Kia, Reza
collection PubMed
description In the title compound, [ReBr(C(16)H(12)Cl(2)F(2)N(2))(CO)(3)], the Re atom is in a slightly distorted octa­hedral coordination environment with the three carbonyl ligands having a fac configuration. The diimine ligand is equatorial and is bonded to the Re centre in an N,N′-bidentate chelating fashion, with a bite angle of 77.7 (2)°. The dihedral angle between the two benzene rings is 88.7 (6)°. In the crystal structure, there are F⋯O [2.856 (9) Å], Cl⋯C [3.150 (8) Å] and O⋯C [2.984 (10) Å] contacts which are shorter than the sum of the van der Waals radii for these atoms. In addition, symmetry-related mol­ecules are linked via inter­molecular C—H⋯O, C—H⋯Br and the F⋯O inter­actions into one-dimensional chains extending along the a axis. The crystal structure is further stabilized by inter­molecular π–π inter­actions [centroid–centroid distance = 3.571 (5) Å].
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spelling pubmed-29681852010-12-30 fac-[N,N′-Bis(3-chloro-2-fluoro­benzyl­idene)ethyl­enediamine]bromido­tri­carbonyl­rhenium(I) Kia, Reza Fun, Hoong-Kun Acta Crystallogr Sect E Struct Rep Online Metal-Organic Papers In the title compound, [ReBr(C(16)H(12)Cl(2)F(2)N(2))(CO)(3)], the Re atom is in a slightly distorted octa­hedral coordination environment with the three carbonyl ligands having a fac configuration. The diimine ligand is equatorial and is bonded to the Re centre in an N,N′-bidentate chelating fashion, with a bite angle of 77.7 (2)°. The dihedral angle between the two benzene rings is 88.7 (6)°. In the crystal structure, there are F⋯O [2.856 (9) Å], Cl⋯C [3.150 (8) Å] and O⋯C [2.984 (10) Å] contacts which are shorter than the sum of the van der Waals radii for these atoms. In addition, symmetry-related mol­ecules are linked via inter­molecular C—H⋯O, C—H⋯Br and the F⋯O inter­actions into one-dimensional chains extending along the a axis. The crystal structure is further stabilized by inter­molecular π–π inter­actions [centroid–centroid distance = 3.571 (5) Å]. International Union of Crystallography 2009-01-14 /pmc/articles/PMC2968185/ /pubmed/21581793 http://dx.doi.org/10.1107/S1600536809001044 Text en © Kia and Fun 2009 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 Metal-Organic Papers
Kia, Reza
Fun, Hoong-Kun
fac-[N,N′-Bis(3-chloro-2-fluoro­benzyl­idene)ethyl­enediamine]bromido­tri­carbonyl­rhenium(I)
title fac-[N,N′-Bis(3-chloro-2-fluoro­benzyl­idene)ethyl­enediamine]bromido­tri­carbonyl­rhenium(I)
title_full fac-[N,N′-Bis(3-chloro-2-fluoro­benzyl­idene)ethyl­enediamine]bromido­tri­carbonyl­rhenium(I)
title_fullStr fac-[N,N′-Bis(3-chloro-2-fluoro­benzyl­idene)ethyl­enediamine]bromido­tri­carbonyl­rhenium(I)
title_full_unstemmed fac-[N,N′-Bis(3-chloro-2-fluoro­benzyl­idene)ethyl­enediamine]bromido­tri­carbonyl­rhenium(I)
title_short fac-[N,N′-Bis(3-chloro-2-fluoro­benzyl­idene)ethyl­enediamine]bromido­tri­carbonyl­rhenium(I)
title_sort fac-[n,n′-bis(3-chloro-2-fluoro­benzyl­idene)ethyl­enediamine]bromido­tri­carbonyl­rhenium(i)
topic Metal-Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2968185/
https://www.ncbi.nlm.nih.gov/pubmed/21581793
http://dx.doi.org/10.1107/S1600536809001044
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AT funhoongkun facnnbis3chloro2fluorobenzylideneethylenediaminebromidotricarbonylrheniumi