Information card for entry 1544147

Structure parameters

• Chemical name: 4-Fluoro-<i>N</i>-methyl-<i>N</i>-nitroaniline
• Formula: C7 H7 F N2 O2
• Calculated formula: C7 H7 F N2 O2
• SMILES: Fc1ccc(N(N(=O)=O)C)cc1
• Title of publication: 4-Fluoro-<i>N</i>-methyl-<i>N</i>-nitroaniline
• Authors of publication: Gajda, Katarzyna; Dziuk, Błażej; Daszkiewicz, Zdzisław
• Journal of publication: IUCrData
• Year of publication: 2016
• Journal volume: 1
• Journal issue: 9
• Pages of publication: x161446
• a: 13.1126 ± 0.0005 Å
• b: 6.8916 ± 0.0003 Å
• c: 16.1831 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1462.41 ± 0.1 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0366
• Residual factor for significantly intense reflections: 0.0302
• Weighted residual factors for significantly intense reflections: 0.0807
• Weighted residual factors for all reflections included in the refinement: 0.085
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes