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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...
Autores principales: | , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2015
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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. |
format | Online Article Text |
id | pubmed-4647430 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2015 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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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