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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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Formato: | Texto |
Lenguaje: | English |
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International Union of Crystallography
2009
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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]. |
format | Text |
id | pubmed-2968185 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2009 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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 |
work_keys_str_mv | AT kiareza facnnbis3chloro2fluorobenzylideneethylenediaminebromidotricarbonylrheniumi AT funhoongkun facnnbis3chloro2fluorobenzylideneethylenediaminebromidotricarbonylrheniumi |