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, C44H26F6, and 5,11-bis(4-tert-butylphenyl)-6,12-diphenyltetracene, C50H44, are presented. Each are substituted on diagonal (5/11) phenyl rings. Each derivative has one polymorph reported pr...
| Main Authors: | , |
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| Format: | Article |
| Language: | English |
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International Union of Crystallography
2023-04-01
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| Series: | Acta Crystallographica Section E: Crystallographic Communications |
| Subjects: | |
| Online Access: | http://scripts.iucr.org/cgi-bin/paper?S2056989023002736 |
| _version_ | 1797851151167651840 |
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| author | Margaret L. Clapham Christopher J. Douglas |
| author_facet | Margaret L. Clapham Christopher J. Douglas |
| author_sort | Margaret L. Clapham |
| collection | DOAJ |
| description | The crystal structures of two rubrene derivatives, 5,11-diphenyl-6,12-bis[4-(trifluoromethyl)phenyl]tetracene, C44H26F6, and 5,11-bis(4-tert-butylphenyl)-6,12-diphenyltetracene, C50H44, 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 CF3-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. |
| first_indexed | 2024-04-09T19:13:15Z |
| format | Article |
| id | doaj.art-1cb1f1c8f6fe405082716f4ba3c64eed |
| institution | Directory Open Access Journal |
| issn | 2056-9890 |
| language | English |
| last_indexed | 2024-04-09T19:13:15Z |
| publishDate | 2023-04-01 |
| publisher | International Union of Crystallography |
| record_format | Article |
| series | Acta Crystallographica Section E: Crystallographic Communications |
| spelling | doaj.art-1cb1f1c8f6fe405082716f4ba3c64eed2023-04-06T09:42:31ZengInternational Union of CrystallographyActa Crystallographica Section E: Crystallographic Communications2056-98902023-04-0179440640910.1107/S2056989023002736jy2028Two new cases of polymorphism in diagonally substituted rubrene derivativesMargaret L. Clapham0Christopher J. Douglas1207 Pleasant St SE, Minneapolis, MN, 55455, USA207 Pleasant St SE, Minneapolis, MN, 55455, USAThe crystal structures of two rubrene derivatives, 5,11-diphenyl-6,12-bis[4-(trifluoromethyl)phenyl]tetracene, C44H26F6, and 5,11-bis(4-tert-butylphenyl)-6,12-diphenyltetracene, C50H44, 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 CF3-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.http://scripts.iucr.org/cgi-bin/paper?S2056989023002736rubrenepolymorphismcrystal structure |
| spellingShingle | Margaret L. Clapham Christopher J. Douglas Two new cases of polymorphism in diagonally substituted rubrene derivatives Acta Crystallographica Section E: Crystallographic Communications rubrene polymorphism crystal structure |
| 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 | rubrene polymorphism crystal structure |
| url | http://scripts.iucr.org/cgi-bin/paper?S2056989023002736 |
| work_keys_str_mv | AT margaretlclapham twonewcasesofpolymorphismindiagonallysubstitutedrubrenederivatives AT christopherjdouglas twonewcasesofpolymorphismindiagonallysubstitutedrubrenederivatives |