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

Ono K, Tsukamoto K, Tomura M - Acta Crystallogr Sect E Struct Rep Online (2009)

Bottom Line: 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.Intra-molecular C-H⋯O and C-H⋯N hydrogen bonds are observed between the benzene and 1,3,4-oxadiazole rings.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.

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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.

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The molecular structure of (I), with atom labels and 50% probability displacement ellipsoids for non-H atoms and H atoms are shown as small spheres of arbitrary radii. The disordered atoms (C25–C27) of the tert-butyl group are omitted for clarity.
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Fap1: The molecular structure of (I), with atom labels and 50% probability displacement ellipsoids for non-H atoms and H atoms are shown as small spheres of arbitrary radii. The disordered atoms (C25–C27) of the tert-butyl group are omitted for clarity.


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

Ono K, Tsukamoto K, Tomura M - Acta Crystallogr Sect E Struct Rep Online (2009)

The molecular structure of (I), with atom labels and 50% probability displacement ellipsoids for non-H atoms and H atoms are shown as small spheres of arbitrary radii. The disordered atoms (C25–C27) of the tert-butyl group are omitted for clarity.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC2977492&req=5

Fap1: The molecular structure of (I), with atom labels and 50% probability displacement ellipsoids for non-H atoms and H atoms are shown as small spheres of arbitrary radii. The disordered atoms (C25–C27) of the tert-butyl group are omitted for clarity.
Bottom Line: 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.Intra-molecular C-H⋯O and C-H⋯N hydrogen bonds are observed between the benzene and 1,3,4-oxadiazole rings.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.

View Article: PubMed Central - HTML - PubMed

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.

No MeSH data available.


Related in: MedlinePlus