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The cocrystal 10-(2-methyl-4-phenyl-1H-inden-6-yl)-10H-phenothiazine–10-(2-methyl-7-phenyl-1H-inden-5-yl)-10H-phenothiazine (0.54/0.46)
The title compound, 0.535C(28)H(21)NS.0.465C(28)H(21)NS, was synthesized by palladium-catalysed amination. The structure is composed of two isomeric molecules, viz. 10-(2-methyl-4-phenyl-1H-inden-6-yl)-10H-phenothiazine, and 10-(2-methyl-7-phenyl-1H-inden-5-yl)-10H-phenothiazine, in the refined r...
Autores principales: | , , |
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Formato: | Texto |
Lenguaje: | English |
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International Union of Crystallography
2008
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2959856/ https://www.ncbi.nlm.nih.gov/pubmed/21581293 http://dx.doi.org/10.1107/S1600536808036210 |
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author | Nikulin, Mikhail V. Voskoboynikov, Alexander Z. Suponitsky, Kyrill Yu. |
author_facet | Nikulin, Mikhail V. Voskoboynikov, Alexander Z. Suponitsky, Kyrill Yu. |
author_sort | Nikulin, Mikhail V. |
collection | PubMed |
description | The title compound, 0.535C(28)H(21)NS.0.465C(28)H(21)NS, was synthesized by palladium-catalysed amination. The structure is composed of two isomeric molecules, viz. 10-(2-methyl-4-phenyl-1H-inden-6-yl)-10H-phenothiazine, and 10-(2-methyl-7-phenyl-1H-inden-5-yl)-10H-phenothiazine, in the refined ratio 0.535 (12):0.465 (12). The isomers differ by the localization of the double bond in the cyclopentadiene ring. There are two sites in the structure that are occupied by the isomers. The respective isomers are occupationally disordered in each site, the refined proportions being 0.640 (6):0.360 (6) and 0.43 (1):0.57 (1). Moreover, each isomeric molecule is chiral; due to the crystallographic centres of symmetry, the molecules are also present in enantiomeric pairs. The crystal structure is stabilized by weak π–π [C⋯C = 3.389 (2) Å] interactions. |
format | Text |
id | pubmed-2959856 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2008 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-29598562010-12-30 The cocrystal 10-(2-methyl-4-phenyl-1H-inden-6-yl)-10H-phenothiazine–10-(2-methyl-7-phenyl-1H-inden-5-yl)-10H-phenothiazine (0.54/0.46) Nikulin, Mikhail V. Voskoboynikov, Alexander Z. Suponitsky, Kyrill Yu. Acta Crystallogr Sect E Struct Rep Online Organic Papers The title compound, 0.535C(28)H(21)NS.0.465C(28)H(21)NS, was synthesized by palladium-catalysed amination. The structure is composed of two isomeric molecules, viz. 10-(2-methyl-4-phenyl-1H-inden-6-yl)-10H-phenothiazine, and 10-(2-methyl-7-phenyl-1H-inden-5-yl)-10H-phenothiazine, in the refined ratio 0.535 (12):0.465 (12). The isomers differ by the localization of the double bond in the cyclopentadiene ring. There are two sites in the structure that are occupied by the isomers. The respective isomers are occupationally disordered in each site, the refined proportions being 0.640 (6):0.360 (6) and 0.43 (1):0.57 (1). Moreover, each isomeric molecule is chiral; due to the crystallographic centres of symmetry, the molecules are also present in enantiomeric pairs. The crystal structure is stabilized by weak π–π [C⋯C = 3.389 (2) Å] interactions. International Union of Crystallography 2008-11-13 /pmc/articles/PMC2959856/ /pubmed/21581293 http://dx.doi.org/10.1107/S1600536808036210 Text en © Nikulin et al. 2008 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 | Organic Papers Nikulin, Mikhail V. Voskoboynikov, Alexander Z. Suponitsky, Kyrill Yu. The cocrystal 10-(2-methyl-4-phenyl-1H-inden-6-yl)-10H-phenothiazine–10-(2-methyl-7-phenyl-1H-inden-5-yl)-10H-phenothiazine (0.54/0.46) |
title | The cocrystal 10-(2-methyl-4-phenyl-1H-inden-6-yl)-10H-phenothiazine–10-(2-methyl-7-phenyl-1H-inden-5-yl)-10H-phenothiazine (0.54/0.46) |
title_full | The cocrystal 10-(2-methyl-4-phenyl-1H-inden-6-yl)-10H-phenothiazine–10-(2-methyl-7-phenyl-1H-inden-5-yl)-10H-phenothiazine (0.54/0.46) |
title_fullStr | The cocrystal 10-(2-methyl-4-phenyl-1H-inden-6-yl)-10H-phenothiazine–10-(2-methyl-7-phenyl-1H-inden-5-yl)-10H-phenothiazine (0.54/0.46) |
title_full_unstemmed | The cocrystal 10-(2-methyl-4-phenyl-1H-inden-6-yl)-10H-phenothiazine–10-(2-methyl-7-phenyl-1H-inden-5-yl)-10H-phenothiazine (0.54/0.46) |
title_short | The cocrystal 10-(2-methyl-4-phenyl-1H-inden-6-yl)-10H-phenothiazine–10-(2-methyl-7-phenyl-1H-inden-5-yl)-10H-phenothiazine (0.54/0.46) |
title_sort | cocrystal 10-(2-methyl-4-phenyl-1h-inden-6-yl)-10h-phenothiazine–10-(2-methyl-7-phenyl-1h-inden-5-yl)-10h-phenothiazine (0.54/0.46) |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2959856/ https://www.ncbi.nlm.nih.gov/pubmed/21581293 http://dx.doi.org/10.1107/S1600536808036210 |
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