Information card for entry 2217401

Structure parameters

• Chemical name: N-(2-Methylphenyl)-2-nitrobenzamide
• Formula: C14 H12 N2 O3
• Calculated formula: C14 H12 N2 O3
• SMILES: N(C(=O)c1c(N(=O)=O)cccc1)c1c(cccc1)C
• Title of publication: <i>N</i>-(2-Methylphenyl)-2-nitrobenzamide
• Authors of publication: Saeed, Aamer; Hussain, Shahid; Bolte, Michael
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 2
• Pages of publication: o521 - o521
• a: 7.8063 ± 0.001 Å
• b: 12.2856 ± 0.0011 Å
• c: 13.1353 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1259.7 ± 0.2 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 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: 0.0307
• Weighted residual factors for significantly intense reflections: 0.0756
• Weighted residual factors for all reflections included in the refinement: 0.0775
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes