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Two new cases of polymorphism in diagonally substituted rubrene derivatives

The crystal structures of two rubrene derivatives, 5,11-diphenyl-6,12-bis­[4-(tri­fluoro­meth­yl)phen­yl]tetra­cene, C(44)H(26)F(6), and 5,11-bis­(4-tert-butyl­phen­yl)-6,12-di­phenyl­tetra­cene, C(50)H(44), are presented. Each are substituted on diagonal (5/11) phenyl rings. Each derivative has one...

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Autores principales: Clapham, Margaret L., Douglas, Christopher J.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2023
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10088311/
https://www.ncbi.nlm.nih.gov/pubmed/37057004
http://dx.doi.org/10.1107/S2056989023002736
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author Clapham, Margaret L.
Douglas, Christopher J.
author_facet Clapham, Margaret L.
Douglas, Christopher J.
author_sort Clapham, Margaret L.
collection PubMed
description The crystal structures of two rubrene derivatives, 5,11-diphenyl-6,12-bis­[4-(tri­fluoro­meth­yl)phen­yl]tetra­cene, C(44)H(26)F(6), and 5,11-bis­(4-tert-butyl­phen­yl)-6,12-di­phenyl­tetra­cene, C(50)H(44), are presented. Each are substituted on diagonal (5/11) phenyl rings. Each derivative has one polymorph reported previously. A discussion of the differences between each derivative and its previously reported polymorph is provided. The triclinic packing of the CF(3)-substituted structure is similar to the packing of the parent rubrene’s triclinic polymorph. In the tert-butyl-substituted structure, a planar tetra­cene core formed, which has been hypothesized but never published. Crystallization conditions are provided as they differ from previous reports.
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spelling pubmed-100883112023-04-12 Two new cases of polymorphism in diagonally substituted rubrene derivatives Clapham, Margaret L. Douglas, Christopher J. Acta Crystallogr E Crystallogr Commun Research Communications The crystal structures of two rubrene derivatives, 5,11-diphenyl-6,12-bis­[4-(tri­fluoro­meth­yl)phen­yl]tetra­cene, C(44)H(26)F(6), and 5,11-bis­(4-tert-butyl­phen­yl)-6,12-di­phenyl­tetra­cene, C(50)H(44), are presented. Each are substituted on diagonal (5/11) phenyl rings. Each derivative has one polymorph reported previously. A discussion of the differences between each derivative and its previously reported polymorph is provided. The triclinic packing of the CF(3)-substituted structure is similar to the packing of the parent rubrene’s triclinic polymorph. In the tert-butyl-substituted structure, a planar tetra­cene core formed, which has been hypothesized but never published. Crystallization conditions are provided as they differ from previous reports. International Union of Crystallography 2023-03-31 /pmc/articles/PMC10088311/ /pubmed/37057004 http://dx.doi.org/10.1107/S2056989023002736 Text en © Clapham and Douglas 2023 https://creativecommons.org/licenses/by/4.0/This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Research Communications
Clapham, Margaret L.
Douglas, Christopher J.
Two new cases of polymorphism in diagonally substituted rubrene derivatives
title Two new cases of polymorphism in diagonally substituted rubrene derivatives
title_full Two new cases of polymorphism in diagonally substituted rubrene derivatives
title_fullStr Two new cases of polymorphism in diagonally substituted rubrene derivatives
title_full_unstemmed Two new cases of polymorphism in diagonally substituted rubrene derivatives
title_short Two new cases of polymorphism in diagonally substituted rubrene derivatives
title_sort two new cases of polymorphism in diagonally substituted rubrene derivatives
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10088311/
https://www.ncbi.nlm.nih.gov/pubmed/37057004
http://dx.doi.org/10.1107/S2056989023002736
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