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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...

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Detalles Bibliográficos
Autores principales: Ono, Katsuhiko, Tsukamoto, Kenichi, Tomura, Masaaki
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2009
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.
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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
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AT tomuramasaaki 55di4pyridyl225tertbutylmphenylenebis134oxadiazole