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5,5'-Di-4-pyridyl-2,2'-(5-tert-butyl-m-phenyl-ene)bis-(1,3,4-oxadiazole).


ABSTRACT: 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 mol-ecular framework is almost planar with an r.m.s. deviation of 0.091?(4)?Å and it exists in an E form. Intra-molecular 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, mol-ecules aggregate via C-H?N inter-actions, forming mol-ecular tapes along the b axis, which aggregate to form a mol-ecular sheet via C-H?N inter-actions.

SUBMITTER: Ono K 

PROVIDER: S-EPMC2977492 | biostudies-literature | 2009 Jul

REPOSITORIES: biostudies-literature

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5,5'-Di-4-pyridyl-2,2'-(5-tert-butyl-m-phenyl-ene)bis-(1,3,4-oxadiazole).

Ono Katsuhiko K   Tsukamoto Kenichi K   Tomura Masaaki M  

Acta crystallographica. Section E, Structure reports online 20090715 Pt 8


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 mol-ecular framework is almost planar with an r.m.s. deviation of 0.091 (4) Å and it exists in an E form. Intra-molecular 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)  ...[more]

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