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Crystal structure of tris­(1,3-dimesityl-4,5-di­hydro-1H-imidazol-3-ium) tetra­bromido­cobaltate(II) bromide chloro­form hexa­solvate

In the unit cell of the title compound, (C(21)H(27)N(2))(3)[CoBr(4)]Br·6CHCl(3), the tetrabromidocobaltate(II) anion and the bromide anion are located on a crystallographic threefold rotation axis. For the [CoBr(4)](2−) group, the axis runs through one of the Br ligands and the Co(II) atom. All othe...

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Autores principales: Rais, Eduard, Flörke, Ulrich, Wilhelm, René
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2015
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4647430/
https://www.ncbi.nlm.nih.gov/pubmed/26594424
http://dx.doi.org/10.1107/S2056989015016254
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author Rais, Eduard
Flörke, Ulrich
Wilhelm, René
author_facet Rais, Eduard
Flörke, Ulrich
Wilhelm, René
author_sort Rais, Eduard
collection PubMed
description In the unit cell of the title compound, (C(21)H(27)N(2))(3)[CoBr(4)]Br·6CHCl(3), the tetrabromidocobaltate(II) anion and the bromide anion are located on a crystallographic threefold rotation axis. For the [CoBr(4)](2−) group, the axis runs through one of the Br ligands and the Co(II) atom. All other structure moieties lie on general sites. Various tris­(1,3-dimesityl-4,5-di­hydro-1H-imidazol-3-ium) structures with different counter-ions have been reported. In the title compound, the N—C—N angle is 113.7 (5)°, with short C—N bond lengths of 1.297 (7) and 1.307 (7) Å. The two mesityl planes make a dihedral angle of 34.6 (1)° and the dihedral angles between the mesityl and N–C–N planes are 82.0 (1) and 88.5 (1)°, respectively. The imidazoline ring is almost planar, with atom deviations in the range 0.003 (5)–0.017 (5) Å from the best plane; the mean deviation is 0.012 (5) Å. In the crystal, non-covalent inter­actions of the C—H⋯Br type occur between the Br(−) anion and the cation, as well as between the [CoBr(4)](2−) anion and both the chloro­form solvent mol­ecules. These H⋯A distances are slightly shorter than the sum of van der Waals radii.
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spelling pubmed-46474302015-11-20 Crystal structure of tris­(1,3-dimesityl-4,5-di­hydro-1H-imidazol-3-ium) tetra­bromido­cobaltate(II) bromide chloro­form hexa­solvate Rais, Eduard Flörke, Ulrich Wilhelm, René Acta Crystallogr E Crystallogr Commun Data Reports In the unit cell of the title compound, (C(21)H(27)N(2))(3)[CoBr(4)]Br·6CHCl(3), the tetrabromidocobaltate(II) anion and the bromide anion are located on a crystallographic threefold rotation axis. For the [CoBr(4)](2−) group, the axis runs through one of the Br ligands and the Co(II) atom. All other structure moieties lie on general sites. Various tris­(1,3-dimesityl-4,5-di­hydro-1H-imidazol-3-ium) structures with different counter-ions have been reported. In the title compound, the N—C—N angle is 113.7 (5)°, with short C—N bond lengths of 1.297 (7) and 1.307 (7) Å. The two mesityl planes make a dihedral angle of 34.6 (1)° and the dihedral angles between the mesityl and N–C–N planes are 82.0 (1) and 88.5 (1)°, respectively. The imidazoline ring is almost planar, with atom deviations in the range 0.003 (5)–0.017 (5) Å from the best plane; the mean deviation is 0.012 (5) Å. In the crystal, non-covalent inter­actions of the C—H⋯Br type occur between the Br(−) anion and the cation, as well as between the [CoBr(4)](2−) anion and both the chloro­form solvent mol­ecules. These H⋯A distances are slightly shorter than the sum of van der Waals radii. International Union of Crystallography 2015-09-12 /pmc/articles/PMC4647430/ /pubmed/26594424 http://dx.doi.org/10.1107/S2056989015016254 Text en © Rais et al. 2015 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 Data Reports
Rais, Eduard
Flörke, Ulrich
Wilhelm, René
Crystal structure of tris­(1,3-dimesityl-4,5-di­hydro-1H-imidazol-3-ium) tetra­bromido­cobaltate(II) bromide chloro­form hexa­solvate
title Crystal structure of tris­(1,3-dimesityl-4,5-di­hydro-1H-imidazol-3-ium) tetra­bromido­cobaltate(II) bromide chloro­form hexa­solvate
title_full Crystal structure of tris­(1,3-dimesityl-4,5-di­hydro-1H-imidazol-3-ium) tetra­bromido­cobaltate(II) bromide chloro­form hexa­solvate
title_fullStr Crystal structure of tris­(1,3-dimesityl-4,5-di­hydro-1H-imidazol-3-ium) tetra­bromido­cobaltate(II) bromide chloro­form hexa­solvate
title_full_unstemmed Crystal structure of tris­(1,3-dimesityl-4,5-di­hydro-1H-imidazol-3-ium) tetra­bromido­cobaltate(II) bromide chloro­form hexa­solvate
title_short Crystal structure of tris­(1,3-dimesityl-4,5-di­hydro-1H-imidazol-3-ium) tetra­bromido­cobaltate(II) bromide chloro­form hexa­solvate
title_sort crystal structure of tris­(1,3-dimesityl-4,5-di­hydro-1h-imidazol-3-ium) tetra­bromido­cobaltate(ii) bromide chloro­form hexa­solvate
topic Data Reports
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4647430/
https://www.ncbi.nlm.nih.gov/pubmed/26594424
http://dx.doi.org/10.1107/S2056989015016254
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