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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...
Autores principales: | , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
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International Union of Crystallography
2023
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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. |
format | Online Article Text |
id | pubmed-10088311 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2023 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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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