Information card for entry 2200529

Structure parameters

• Chemical name: 4'-fluoro-2'-nitroacetanilide
• Formula: C8 H7 F N2 O3
• Calculated formula: C8 H7 F N2 O3
• SMILES: Fc1cc(N(=O)=O)c(NC(=O)C)cc1
• Title of publication: 4'-Fluoro-2'-nitroacetanilide
• Authors of publication: Qi, Jianying; Zhou, Zhongyuan; Liu, Dongsheng; Chan, Albert S. C.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 8
• Pages of publication: o675 - o676
• a: 3.9758 ± 0.0007 Å
• b: 22.489 ± 0.004 Å
• c: 9.7419 ± 0.0016 Å
• α: 90°
• β: 99.255 ± 0.003°
• γ: 90°
• Cell volume: 859.7 ± 0.3 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.075
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for all reflections included in the refinement: 0.168
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes