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1,3-Bis(prop-2-yn-1-yl)-1H-anthra[1,2-d]imidazole-2,6,11(3H)-trione.

ABSTRACT: In the title compound, C21H12N2O3, the fused-ring system is roughly planar, the largest deviation from the mean plane being 0.084 (2) Å. The two prop-2-yn-1-yl groups are almost perpendicular to the fused ring plane, making C-C-N-C torsion angles of -103.4 (2) and -105.3 (2)°, and point in opposite directions with respect to the plane. In the crystal, mol-ecules are linked by weak C-H⋯O hydrogen bonds, forming a three-dimensional network.

SUBMITTER: Afrakssou Z

PROVIDER: S-EPMC3685088 | biostudies-literature | 2013 Jun

REPOSITORIES: biostudies-literature

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1,3-Bis(prop-2-yn-1-yl)-1H-anthra[1,2-d]imidazole-2,6,11(3H)-trione.

Afrakssou Zahra Z Haoudi Amal A Capet Frédéric F Mazzah Ahmed A Rolando Christian C El Ammari Lahcen L

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

In the title compound, C21H12N2O3, the fused-ring system is roughly planar, the largest deviation from the mean plane being 0.084 (2) Å. The two prop-2-yn-1-yl groups are almost perpendicular to the fused ring plane, making C-C-N-C torsion angles of -103.4 (2) and -105.3 (2)°, and point in opposite directions with respect to the plane. In the crystal, mol-ecules are linked by weak C-H⋯O hydrogen bonds, forming a three-dimensional network. ...[more]

PMID: 23795107

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1,3-Dibenzyl-1H-anthra[1,2-d]imidazole-2,6,11(3H)-trione.

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Project description:The fused-ring system of the title compound, C(27)H(28)N(2)O(7), which comprises one five- and three six-membered rings, is approximately planar (r.m.s. deviation = 0.133 Å), the system being buckled along the axis passing through the O atoms of the anthraquinone portion of the mol-ecule. Within the anthraquinone portion, the two benzene rings are aligned at 7.3 (2)°. In the crystal, one of the tert-butyl groups is disordered over two sets of sites in a 1:1 ratio. Weak inter-molecular C-H⋯O hydrogen bonding is present in the crystal structure.

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1,3-Bis(prop-2-yn-yl)-1H-1,3-benzimid-azol-2(3H)-one.

Project description:In the title compound, C(13)H(10)N(2)O, the fused-ring system is essentially planar, the largest deviation from the mean plane being 0.015 (1) Å. The two propynyl groups are nearly perpendicular to the benzimidazole plane, making dihedral angles of 85 (3) and 80 (2) °, and point in opposite directions. There are two short inter-molecular C-H⋯O contacts to the carbonyl O atom, one involving the acetyl-enic H atom and the other a H atom of the methyl-ene group.

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5-Nitro-1,3-bis-(prop-2-yn-yl)-1H-1,3-benzimidazol-2(3H)-one.

Project description:The title compound, C13H9N3O3, crystallizes with two identical but differently oriented mol-ecules in the asymmetric unit, the dihedral angle between the fused-ring systems of the two molecules being 64.39 (7)°. The two prop-2-ynyl chains are located on opposite sides of the mol-ecule and are nearly perpendicular to the fused ring plane, as indicated by the C-N-C-C torsion angles in the range 106.0 (3)-113.4 (3)°. In the crystal, the two mol-ecules are linked through C-H⋯O hydrogen bonds into dimers, which are subsequently linked by further C-H⋯O inter-actions, building a three-dimensional network.

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