Information card for entry 1520354

Structure parameters

• Chemical name: N-(4-nitrophenyl)acetamide
• Formula: C8 H8 N2 O3
• Calculated formula: C8 H8 N2 O3
• SMILES: c1(ccc(cc1)N(=O)=O)NC(=O)C
• Title of publication: N-(4-nitrophenyl)acetamide
• Authors of publication: Coles, Susanne L.; Threlfall, Terry L.; Hursthouse, Michael B.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 2009
• Pages of publication: 1383
• a: 3.821 ± 0.005 Å
• b: 9.726 ± 0.014 Å
• c: 22.67 ± 0.03 Å
• α: 92.151 ± 0.016°
• β: 93.359 ± 0.018°
• γ: 100.409 ± 0.016°
• Cell volume: 826.2 ± 1.9 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1847
• Residual factor for significantly intense reflections: 0.1566
• Weighted residual factors for significantly intense reflections: 0.3672
• Weighted residual factors for all reflections included in the refinement: 0.3795
• Goodness-of-fit parameter for all reflections included in the refinement: 1.129
• Diffraction radiation wavelength: 0.6889 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No