Information card for entry 2217756

Structure parameters

• Chemical name: N-(2-Methoxyphenyl)-2-nitrobenzamide
• Formula: C14 H12 N2 O4
• Calculated formula: C14 H12 N2 O4
• SMILES: C(=O)(Nc1c(OC)cccc1)c1c(N(=O)=O)cccc1
• Title of publication: <i>N</i>-(2-Methoxyphenyl)-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: 3
• Pages of publication: o603
• a: 7.6467 ± 0.0011 Å
• b: 9.9272 ± 0.0008 Å
• c: 16.5032 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1252.8 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0479
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for significantly intense reflections: 0.1075
• Weighted residual factors for all reflections included in the refinement: 0.1102
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes