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5-Nitro-1,3-bis(prop-2-ynyl)-1H-1,3-benzimidazol-2(3H)-one
The title compound, C(13)H(9)N(3)O(3), 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 ar...
| Autores principales: | , , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
International Union of Crystallography
2013
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3770420/ https://www.ncbi.nlm.nih.gov/pubmed/24046705 http://dx.doi.org/10.1107/S1600536813016814 |
| Sumario: | The title compound, C(13)H(9)N(3)O(3), 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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