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mer-Bis[2-(1,3-benzothiazol-2-yl)phenyl-κ(2) C (1),N][3-phenyl-5-(2-pyridyl)-1,2,4-triazol-1-ido-κ(2) N (1),N (5)]iridium(III) deuterochloroform 3.5-solvate
In the title compound, [Ir(C(13)H(9)N(4))(C(13)H(8)NS)(2)]·3.5CDCl(3), the coordination at iridium is octahedral, but with narrow ligand bite angles. The bond lengths at iridium show the expected trans influence, with the Ir—N bonds trans to C being appreciably longer than those trans to N. The che...
| Autores principales: | , , , , |
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| Formato: | Texto |
| Lenguaje: | English |
| Publicado: |
International Union of Crystallography
2010
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3007894/ https://www.ncbi.nlm.nih.gov/pubmed/21588505 http://dx.doi.org/10.1107/S1600536810031624 |
| _version_ | 1782194453136539648 |
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| author | Jones, Peter G. Freund, Andreas Weinkauf, Andreas Kowalsky, Wolfgang Johannes, Hans-Hermann |
| author_facet | Jones, Peter G. Freund, Andreas Weinkauf, Andreas Kowalsky, Wolfgang Johannes, Hans-Hermann |
| author_sort | Jones, Peter G. |
| collection | PubMed |
| description | In the title compound, [Ir(C(13)H(9)N(4))(C(13)H(8)NS)(2)]·3.5CDCl(3), the coordination at iridium is octahedral, but with narrow ligand bite angles. The bond lengths at iridium show the expected trans influence, with the Ir—N bonds trans to C being appreciably longer than those trans to N. The chelate rings are mutually perpendicular, the interplanar angles between them all lying within 6° of 90°. All ligands are approximately planar; the maximum interplanar angles within ligands are ca 10°. The three ordered deuterochloroform molecules are all involved in C⋯D—A contacts that can be interpreted as hydrogen bonds of various types. The fourth deuterochloroform is disordered over an inversion centre. |
| format | Text |
| id | pubmed-3007894 |
| institution | National Center for Biotechnology Information |
| language | English |
| publishDate | 2010 |
| publisher | International Union of Crystallography |
| record_format | MEDLINE/PubMed |
| spelling | pubmed-30078942010-12-30 mer-Bis[2-(1,3-benzothiazol-2-yl)phenyl-κ(2) C (1),N][3-phenyl-5-(2-pyridyl)-1,2,4-triazol-1-ido-κ(2) N (1),N (5)]iridium(III) deuterochloroform 3.5-solvate Jones, Peter G. Freund, Andreas Weinkauf, Andreas Kowalsky, Wolfgang Johannes, Hans-Hermann Acta Crystallogr Sect E Struct Rep Online Metal-Organic Papers In the title compound, [Ir(C(13)H(9)N(4))(C(13)H(8)NS)(2)]·3.5CDCl(3), the coordination at iridium is octahedral, but with narrow ligand bite angles. The bond lengths at iridium show the expected trans influence, with the Ir—N bonds trans to C being appreciably longer than those trans to N. The chelate rings are mutually perpendicular, the interplanar angles between them all lying within 6° of 90°. All ligands are approximately planar; the maximum interplanar angles within ligands are ca 10°. The three ordered deuterochloroform molecules are all involved in C⋯D—A contacts that can be interpreted as hydrogen bonds of various types. The fourth deuterochloroform is disordered over an inversion centre. International Union of Crystallography 2010-08-11 /pmc/articles/PMC3007894/ /pubmed/21588505 http://dx.doi.org/10.1107/S1600536810031624 Text en © Jones et al. 2010 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 Jones, Peter G. Freund, Andreas Weinkauf, Andreas Kowalsky, Wolfgang Johannes, Hans-Hermann mer-Bis[2-(1,3-benzothiazol-2-yl)phenyl-κ(2) C (1),N][3-phenyl-5-(2-pyridyl)-1,2,4-triazol-1-ido-κ(2) N (1),N (5)]iridium(III) deuterochloroform 3.5-solvate |
| title |
mer-Bis[2-(1,3-benzothiazol-2-yl)phenyl-κ(2)
C
(1),N][3-phenyl-5-(2-pyridyl)-1,2,4-triazol-1-ido-κ(2)
N
(1),N
(5)]iridium(III) deuterochloroform 3.5-solvate |
| title_full |
mer-Bis[2-(1,3-benzothiazol-2-yl)phenyl-κ(2)
C
(1),N][3-phenyl-5-(2-pyridyl)-1,2,4-triazol-1-ido-κ(2)
N
(1),N
(5)]iridium(III) deuterochloroform 3.5-solvate |
| title_fullStr |
mer-Bis[2-(1,3-benzothiazol-2-yl)phenyl-κ(2)
C
(1),N][3-phenyl-5-(2-pyridyl)-1,2,4-triazol-1-ido-κ(2)
N
(1),N
(5)]iridium(III) deuterochloroform 3.5-solvate |
| title_full_unstemmed |
mer-Bis[2-(1,3-benzothiazol-2-yl)phenyl-κ(2)
C
(1),N][3-phenyl-5-(2-pyridyl)-1,2,4-triazol-1-ido-κ(2)
N
(1),N
(5)]iridium(III) deuterochloroform 3.5-solvate |
| title_short |
mer-Bis[2-(1,3-benzothiazol-2-yl)phenyl-κ(2)
C
(1),N][3-phenyl-5-(2-pyridyl)-1,2,4-triazol-1-ido-κ(2)
N
(1),N
(5)]iridium(III) deuterochloroform 3.5-solvate |
| title_sort | mer-bis[2-(1,3-benzothiazol-2-yl)phenyl-κ(2)
c
(1),n][3-phenyl-5-(2-pyridyl)-1,2,4-triazol-1-ido-κ(2)
n
(1),n
(5)]iridium(iii) deuterochloroform 3.5-solvate |
| topic | Metal-Organic Papers |
| url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3007894/ https://www.ncbi.nlm.nih.gov/pubmed/21588505 http://dx.doi.org/10.1107/S1600536810031624 |
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