Information card for entry 8102707

Structure parameters

• Formula: C10 H12 N2 O3
• Calculated formula: C10 H12 N2 O3
• SMILES: N(c1c(N(=O)=O)cc(cc1C)C)C(=O)C
• Title of publication: Crystal structure of N-(2,4-dimethyl-6-nitrophenyl)acetamide, C10H12N2O3
• Authors of publication: Hu-Kui Chen; Fei-Wen Zhao
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2010
• Journal volume: 225
• Journal issue: 2
• Pages of publication: 369
• a: 8.4653 ± 0.0008 Å
• b: 8.4653 ± 0.0008 Å
• c: 14.9036 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1068.01 ± 0.17 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 78
• Hermann-Mauguin space group symbol: P 43
• Hall space group symbol: P 4cw
• Residual factor for all reflections: 0.0391
• Residual factor for significantly intense reflections: 0.0308
• Weighted residual factors for significantly intense reflections: 0.0775
• Weighted residual factors for all reflections included in the refinement: 0.0845
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No