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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]

PMID: 24826185

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N (1),N (4)-Diphenyl-3,6-bis-(phenyl-imino)-cyclo-hexa-1,4-diene-1,4-di-amine.

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An ortho-rhom-bic polymorph of 5-[(4-methyl-phen-yl)diazen-yl]salicylaldehyde.

Project description:The title compound, C(14)H(12)N(2)O(2), is an ortho-rhom-bic polymorph of the previously reported monoclinic form [Bakir et al. (2005 ?). Acta Cryst. E61, o1611-o1613]. The dihedral angle between the aromatic rings is 4.32?(13)°. The mol-ecular structures of the two polymorphs, including short intra-molecular O-H?O hydrogen bonds between the the hydr-oxy and keto groups, are quite similar but their crystal packings are distinct. Unlike the monoclinic form, in which centrosymmetrically related hydr-oxy and keto groups form {?H?O}(2) synthons via weak O-H?O contacts, leading to dimeric aggregates, in the ortho-rhom-bic form, the hydrogen bonding between these groups leads to the formation of supra-molecular chains orientated along the a axis.

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Ortho-rhom-bic polymorph of 4-[(1H-benzimidazol-1-yl)meth-yl]benzoic acid.

Project description:We reported recently the first polymorph of the title compound [Kuai & Cheng (2011a ▶). Acta Cryst., E67, o2787]. A second polymorph of the title compound, C(15)H(12)N(2)O(2), was unexpectedly obtained by the hydro-thermal reaction of the title compound with manganese chloride in the presence of potassium hydroxide at 413 K. The benzimidazole ring system is almost planar, with a maximum deviation from the mean plane of 0.015 (2) Å. The benzimidazole and benzene rings are inclined at a dihedral angle of 79.00 (1)°. In the crystal, adjacent mol-ecules are connected through O-H⋯N hydrogen bonds into a one-dimensional chain along the [001] direction.

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