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