5,5′-Di-4-pyridyl-2,2′-(5-tert-butyl-m-phenylene)bis(1,3,4-oxadiazole)
The title compound, C24H20N6O2, is a novel 1,3,4-oxadiazole derivative which has potential as an electron-transporting material in organic electroluminescent (EL) devices. In the crystal, the molecular framework is almost planar with an r.m.s. deviation of 0.091 (4) &...
| Main Authors: | , , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
International Union of Crystallography
2009-08-01
|
| Series: | Acta Crystallographica Section E |
| Online Access: | http://scripts.iucr.org/cgi-bin/paper?S1600536809027056 |
| _version_ | 1819279996069347328 |
|---|---|
| author | Katsuhiko Ono Kenichi Tsukamoto Masaaki Tomura |
| author_facet | Katsuhiko Ono Kenichi Tsukamoto Masaaki Tomura |
| author_sort | Katsuhiko Ono |
| collection | DOAJ |
| description | The title compound, C24H20N6O2, is a novel 1,3,4-oxadiazole derivative which has potential as an electron-transporting material in organic electroluminescent (EL) devices. In the crystal, the molecular framework is almost planar with an r.m.s. deviation of 0.091 (4) Å and it exists in an E form. Intramolecular C—H...O and C—H...N hydrogen bonds are observed between the benzene and 1,3,4-oxadiazole rings. The tert-butyl group is disordered over two sites, with occupancy factors of 0.78 (1) and 0.22 (1) for the major and minor orientations, respectively. In the crystal structure, molecules aggregate via C—H...N interactions, forming molecular tapes along the b axis, which aggregate to form a molecular sheet via C—H...N interactions. |
| first_indexed | 2024-12-24T00:36:46Z |
| format | Article |
| id | doaj.art-fe83a57cdf824c1f89d6ef984d78d14c |
| institution | Directory Open Access Journal |
| issn | 1600-5368 |
| language | English |
| last_indexed | 2024-12-24T00:36:46Z |
| publishDate | 2009-08-01 |
| publisher | International Union of Crystallography |
| record_format | Article |
| series | Acta Crystallographica Section E |
| spelling | doaj.art-fe83a57cdf824c1f89d6ef984d78d14c2022-12-21T17:24:04ZengInternational Union of CrystallographyActa Crystallographica Section E1600-53682009-08-01658o1873o187310.1107/S16005368090270565,5′-Di-4-pyridyl-2,2′-(5-tert-butyl-m-phenylene)bis(1,3,4-oxadiazole)Katsuhiko OnoKenichi TsukamotoMasaaki TomuraThe title compound, C24H20N6O2, is a novel 1,3,4-oxadiazole derivative which has potential as an electron-transporting material in organic electroluminescent (EL) devices. In the crystal, the molecular framework is almost planar with an r.m.s. deviation of 0.091 (4) Å and it exists in an E form. Intramolecular C—H...O and C—H...N hydrogen bonds are observed between the benzene and 1,3,4-oxadiazole rings. The tert-butyl group is disordered over two sites, with occupancy factors of 0.78 (1) and 0.22 (1) for the major and minor orientations, respectively. In the crystal structure, molecules aggregate via C—H...N interactions, forming molecular tapes along the b axis, which aggregate to form a molecular sheet via C—H...N interactions.http://scripts.iucr.org/cgi-bin/paper?S1600536809027056 |
| spellingShingle | Katsuhiko Ono Kenichi Tsukamoto Masaaki Tomura 5,5′-Di-4-pyridyl-2,2′-(5-tert-butyl-m-phenylene)bis(1,3,4-oxadiazole) Acta Crystallographica Section E |
| title | 5,5′-Di-4-pyridyl-2,2′-(5-tert-butyl-m-phenylene)bis(1,3,4-oxadiazole) |
| title_full | 5,5′-Di-4-pyridyl-2,2′-(5-tert-butyl-m-phenylene)bis(1,3,4-oxadiazole) |
| title_fullStr | 5,5′-Di-4-pyridyl-2,2′-(5-tert-butyl-m-phenylene)bis(1,3,4-oxadiazole) |
| title_full_unstemmed | 5,5′-Di-4-pyridyl-2,2′-(5-tert-butyl-m-phenylene)bis(1,3,4-oxadiazole) |
| title_short | 5,5′-Di-4-pyridyl-2,2′-(5-tert-butyl-m-phenylene)bis(1,3,4-oxadiazole) |
| title_sort | 5 5 amp 8242 di 4 pyridyl 2 2 amp 8242 5 tert butyl m phenylene bis 1 3 4 oxadiazole |
| url | http://scripts.iucr.org/cgi-bin/paper?S1600536809027056 |
| work_keys_str_mv | AT katsuhikoono 55amp8242di4pyridyl22amp82425tertbutylmphenylenebis134oxadiazole AT kenichitsukamoto 55amp8242di4pyridyl22amp82425tertbutylmphenylenebis134oxadiazole AT masaakitomura 55amp8242di4pyridyl22amp82425tertbutylmphenylenebis134oxadiazole |