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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...

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Detalles Bibliográficos
Autores principales: Nikulin, Mikhail V., Voskoboynikov, Alexander Z., Suponitsky, Kyrill Yu.
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2008
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.
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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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