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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Detalles Bibliográficos
Autores principales: Clapham, Margaret L., Douglas, Christopher J.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2023
Materias:
Research Communications
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
Descripción
Sumario: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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