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

ABSTRACT: 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.

SUBMITTER: Kandri Rodi Y 

PROVIDER: S-EPMC3770420 | biostudies-literature | 2013

REPOSITORIES: biostudies-literature

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

Kandri Rodi Youssef Y   Misbahi Khalid K   El-Ghayoury Abdelkrim A   Zorina Leokadiya L   Essassi El Mokhtar el M   El Ammari Lahcen L  

Acta crystallographica. Section E, Structure reports online 20130626 Pt 7

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 di  ...[more]

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