Information card for entry 2240585

Structure parameters

• Chemical name: 2-Nitro-<i>N</i>-(2-nitrophenyl)benzamide
• Formula: C13 H9 N3 O5
• Calculated formula: C13 H9 N3 O5
• SMILES: O=C(Nc1c(N(=O)=O)cccc1)c1c(N(=O)=O)cccc1
• Title of publication: Crystal structure of 2-nitro-<i>N</i>-(2-nitrophenyl)benzamide
• Authors of publication: Moreno-Fuquen, Rodolfo; Azcárate, Alexis; Kennedy, Alan R.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 6
• Pages of publication: o389 - o390
• a: 7.7564 ± 0.0002 Å
• b: 12.1142 ± 0.0004 Å
• c: 12.9355 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1215.45 ± 0.06 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0355
• Residual factor for significantly intense reflections: 0.0335
• Weighted residual factors for significantly intense reflections: 0.0861
• Weighted residual factors for all reflections included in the refinement: 0.088
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes