Information card for entry 2238622

Structure parameters

• Common name: N-(2-nitrophenyl)-2-furancarboxamide
• Chemical name: <i>N</i>-(2-Nitrophenyl)furan-2-carboxamide
• Formula: C11 H8 N2 O4
• Calculated formula: C11 H8 N2 O4
• SMILES: o1cccc1C(=O)Nc1c(N(=O)=O)cccc1
• Title of publication: <i>N</i>-(2-Nitrophenyl)furan-2-carboxamide
• Authors of publication: Moreno-Fuquen, Rodolfo; Azcárate, Alexis; Kennedy, Alan R.; Gilmour, Denise; De Almeida Santos, Regina H.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 10
• Pages of publication: o1592
• a: 7.038 ± 0.0005 Å
• b: 12.8072 ± 0.0009 Å
• c: 11.3701 ± 0.0009 Å
• α: 90°
• β: 97.819 ± 0.006°
• γ: 90°
• Cell volume: 1015.34 ± 0.13 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0498
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.0906
• Weighted residual factors for all reflections included in the refinement: 0.0986
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No