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5,5'-Bis(naphthalen-2-yl)-2,2'-bi(1,3,4-oxadiazole).

ABSTRACT: The title mol-ecule, C(24)H(14)N(4)O(2), lies on an inversion centre and the asymmetric unit containg one half-mol-ecule. The naphthalene ring systems are twisted slightly with respect to the oxadiazole rings, making a dihedral angle of 1.36?(6)°. These mol-ecules are ?-stacked along the crystallographic a axis, with an inter-planar distance of 3.337?(1)?Å. Adjacent mol-ecules are slipped from the 'ideal' cofacial ?-stack in both the long and short mol-ecular axis (the long mol-ecular axis is defined as the line through the naphthalene C atom in the 6-position and the mol-ecular center, the short mol-ecular axis is in the mol-ecular plane perpendicular to it). The slip distance along the long mol-ecular axis (S(1)) is 7.064?(1)?Å, nearly a two-ring-length displacement. The side slip (S(2), along the short mol-ecular axis) is 1.159?(8)?Å.

SUBMITTER: Wang H 

PROVIDER: S-EPMC3239005 | biostudies-literature | 2011 Dec

REPOSITORIES: biostudies-literature

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5,5'-Bis(naphthalen-2-yl)-2,2'-bi(1,3,4-oxadiazole).

Wang Haitao H   Jia Xiaoshi X   Qu Songnan S   Bai Binglian B   Li Min M  

Acta crystallographica. Section E, Structure reports online 20111119 Pt 12

The title mol-ecule, C(24)H(14)N(4)O(2), lies on an inversion centre and the asymmetric unit containg one half-mol-ecule. The naphthalene ring systems are twisted slightly with respect to the oxadiazole rings, making a dihedral angle of 1.36 (6)°. These mol-ecules are π-stacked along the crystallographic a axis, with an inter-planar distance of 3.337 (1) Å. Adjacent mol-ecules are slipped from the 'ideal' cofacial π-stack in both the long and short mol-ecular axis (the long mol-ecular axis is de  ...[more]

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