Information card for entry 1519899

Structure parameters

• Chemical name: N-(2-nitrophenyl)acetamide
• Formula: C8 H8 N2 O3
• Calculated formula: C8 H8 N2 O3
• SMILES: c1(c(cccc1)N(=O)=O)NC(=O)C
• Title of publication: N-(2-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: 1364
• a: 10.5564 ± 0.0004 Å
• b: 4.9758 ± 0.0002 Å
• c: 15.4117 ± 0.0005 Å
• α: 90°
• β: 97.134 ± 0.002°
• γ: 90°
• Cell volume: 803.26 ± 0.05 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0556
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for significantly intense reflections: 0.1016
• Weighted residual factors for all reflections included in the refinement: 0.111
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No