Acta Crystallographica Section E

Structure Reports Online

Volume 69, Part 7 (July 2013)


organic compounds



kj2228 scheme

Acta Cryst. (2013). E69, o1159    [ doi:10.1107/S1600536813016814 ]

5-Nitro-1,3-bis(prop-2-ynyl)-1H-1,3-benzimidazol-2(3H)-one

Y. Kandri Rodi, K. Misbahi, A. El-Ghayoury, L. Zorina, E. M. Essassi and L. El Ammari

Abstract: The title compound, C13H9N3O3, crystallizes with two identical but differently oriented molecules 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 molecule 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 molecules are linked through C-H...O hydrogen bonds into dimers, which are subsequently linked by further C-H...O interactions, building a three-dimensional network.


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