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5,5′-Di-4-pyridyl-2,2′-(5-tert-butyl-m-phenylene)bis(1,3,4-oxadiazole)
The title compound, C(24)H(20)N(6)O(2), 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...
Autores principales: | , , |
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Formato: | Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2009
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2977492/ https://www.ncbi.nlm.nih.gov/pubmed/21583567 http://dx.doi.org/10.1107/S1600536809027056 |
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author | Ono, Katsuhiko Tsukamoto, Kenichi Tomura, Masaaki |
author_facet | Ono, Katsuhiko Tsukamoto, Kenichi Tomura, Masaaki |
author_sort | Ono, Katsuhiko |
collection | PubMed |
description | The title compound, C(24)H(20)N(6)O(2), 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. |
format | Text |
id | pubmed-2977492 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2009 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-29774922010-12-30 5,5′-Di-4-pyridyl-2,2′-(5-tert-butyl-m-phenylene)bis(1,3,4-oxadiazole) Ono, Katsuhiko Tsukamoto, Kenichi Tomura, Masaaki Acta Crystallogr Sect E Struct Rep Online Organic Papers The title compound, C(24)H(20)N(6)O(2), 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. International Union of Crystallography 2009-07-15 /pmc/articles/PMC2977492/ /pubmed/21583567 http://dx.doi.org/10.1107/S1600536809027056 Text en © Ono et al. 2009 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited. |
spellingShingle | Organic Papers Ono, Katsuhiko Tsukamoto, Kenichi Tomura, Masaaki 5,5′-Di-4-pyridyl-2,2′-(5-tert-butyl-m-phenylene)bis(1,3,4-oxadiazole) |
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′-di-4-pyridyl-2,2′-(5-tert-butyl-m-phenylene)bis(1,3,4-oxadiazole) |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2977492/ https://www.ncbi.nlm.nih.gov/pubmed/21583567 http://dx.doi.org/10.1107/S1600536809027056 |
work_keys_str_mv | AT onokatsuhiko 55di4pyridyl225tertbutylmphenylenebis134oxadiazole AT tsukamotokenichi 55di4pyridyl225tertbutylmphenylenebis134oxadiazole AT tomuramasaaki 55di4pyridyl225tertbutylmphenylenebis134oxadiazole |