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1-(Prop-2-en-1-yl)-3-{[3-(pyridin-4-yl)-4,5-di-hydro-isoxazol-5-yl]meth-yl}-1H-anthra[1,2-d]imidazole-2,6,11(3H)-trione.

ABSTRACT: The fused five- and three six-membered rings of the anthra[1,2-d]imidazole-trione part of the title compound, C27H20N4O4, show two different substituents at the imidazole N atoms, viz. an allyl group and a [3-(pyridin-4-yl)-4,5-di-hydro-isoxazol-5-yl]methyl group. The fused-ring system is approximately planar [r.m.s. deviation = 0.232?(2)?Å], but is slightly buckled along the common edge of the two pairs of adjacent rings, with a dihedral angle between them of 11.17?(6)°. The isoxazole ring makes dihedral angles of 27.2?(2) and 12.7?(2)° with the imidazole and pyridine rings, respectively. Weak C-H?O and C-H?N hydrogen bonds ensure the cohesion of the crystal structure, forming a three-dimensional network.

SUBMITTER: Afrakssou Z

PROVIDER: S-EPMC3685089 | biostudies-other | 2013 Jun

REPOSITORIES: biostudies-other

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1-(Prop-2-en-1-yl)-3-{[3-(pyridin-4-yl)-4,5-di-hydro-isoxazol-5-yl]meth-yl}-1H-anthra[1,2-d]imidazole-2,6,11(3H)-trione.

Afrakssou Zahra Z Kandri Rodia Youssef Y Capet Frédéric F Essassi El Mokhtar el M Rolando Christian C El Ammari Lahcen L

Acta crystallographica. Section E, Structure reports online 20130522 Pt 6

The fused five- and three six-membered rings of the anthra[1,2-d]imidazole-trione part of the title compound, C27H20N4O4, show two different substituents at the imidazole N atoms, viz. an allyl group and a [3-(pyridin-4-yl)-4,5-di-hydro-isoxazol-5-yl]methyl group. The fused-ring system is approximately planar [r.m.s. deviation = 0.232 (2) Å], but is slightly buckled along the common edge of the two pairs of adjacent rings, with a dihedral angle between them of 11.17 (6)°. The isoxazole ring make ...[more]

PMID: 23795108

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