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An ortho-rhom-bic polymorph of N (1),N (4)-diphenyl-3,6-bis-(phenyl-imino)-cyclo-hexa-1,4-diene-1,4-di-amine.


ABSTRACT: A new ortho-rhom-bic polymorph of the title compound, C30H24N4, with a density of 1.315 Mg?m(-3), has been obtained. The mol-ecule is centrosymmetric with the centroid of the cyclo-hexa-1,4-diene ring located on an inversion center. The two unique benzene rings are almost perpendicular to each other [dihedral angle = 86.70?(6)°] and are oriented at dihedral angles of 30.79?(5) and 68.07?(5)° with respect to the central cyclo-hexa-diene ring. In the crystal, ?-? stacking is observed between the central cyclo-hexa-1,4-diene-1,4-di-amine unit and a phenyl ring of a neighboring mol-ecule [centroid-centroid distance = 3.7043?(7)?Å]. The crystal structure of the triclinic polymorph [Ohno et al. (2014 ?). Acta Cryst. E70, o303-o304] showed chains running along the b-axis direction through weak C-H?? inter-actions.

SUBMITTER: Ohno K 

PROVIDER: S-EPMC3998558 | biostudies-literature | 2014 Apr

REPOSITORIES: biostudies-literature

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An ortho-rhom-bic polymorph of N (1),N (4)-diphenyl-3,6-bis-(phenyl-imino)-cyclo-hexa-1,4-diene-1,4-di-amine.

Ohno Keiji K   Fujihara Takashi T   Nagasawa Akira A  

Acta crystallographica. Section E, Structure reports online 20140329 Pt 4


A new ortho-rhom-bic polymorph of the title compound, C30H24N4, with a density of 1.315 Mg m(-3), has been obtained. The mol-ecule is centrosymmetric with the centroid of the cyclo-hexa-1,4-diene ring located on an inversion center. The two unique benzene rings are almost perpendicular to each other [dihedral angle = 86.70 (6)°] and are oriented at dihedral angles of 30.79 (5) and 68.07 (5)° with respect to the central cyclo-hexa-diene ring. In the crystal, π-π stacking is observed between the c  ...[more]

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