Information card for entry 2215076

Structure parameters

• Chemical name: N-(4-Nitrophenyl)propionamide
• Formula: C9 H10 N2 O3
• Calculated formula: C9 H10 N2 O3
• SMILES: N(c1ccc(N(=O)=O)cc1)C(=O)CC
• Title of publication: <i>N</i>-(4-Nitrophenyl)propionamide
• Authors of publication: Zhang, Hou-Ying; Guo, Ming-Lin; Guo, Chen-Hu; Ye, Ya-Nan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 9
• Pages of publication: o3903 - o3903
• a: 9.763 ± 0.003 Å
• b: 9.278 ± 0.003 Å
• c: 20.586 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1864.7 ± 0.9 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.09
• Residual factor for significantly intense reflections: 0.0504
• Weighted residual factors for significantly intense reflections: 0.1232
• Weighted residual factors for all reflections included in the refinement: 0.1466
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes