Information card for entry 1520241

Structure parameters

• Chemical name: N-(3-nitrophenyl)acetamide
• Formula: C8 H8 N2 O3
• Calculated formula: C8 H8 N2 O3
• SMILES: c1(cc(ccc1)N(=O)=O)NC(=O)C
• Title of publication: N-(3-nitrophenyl)acetamide
• Authors of publication: Coles, Susanne L.; Threlfall, Terry L.; Hursthouse, Michael B.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 2008
• Pages of publication: 1371
• a: 9.7285 ± 0.0005 Å
• b: 13.3392 ± 0.0007 Å
• c: 12.9849 ± 0.0005 Å
• α: 90°
• β: 103.791 ± 0.003°
• γ: 90°
• Cell volume: 1636.48 ± 0.14 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0647
• Residual factor for significantly intense reflections: 0.0499
• Weighted residual factors for significantly intense reflections: 0.1194
• Weighted residual factors for all reflections included in the refinement: 0.1273
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No