Information card for entry 2219974

Structure parameters

• Common name: 2,4,6-Trifluoroaniline
• Chemical name: 2,4,6-Trifluoroaniline
• Formula: C6 H4 F3 N
• Calculated formula: C6 H4 F3 N
• SMILES: Fc1c(N)c(F)cc(F)c1
• Title of publication: 2,4,6-Trifluoroaniline
• Authors of publication: Betz, Richard; Klüfers, Peter
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 11
• Pages of publication: o2242
• a: 6.322 ± 0.0006 Å
• b: 24.792 ± 0.002 Å
• c: 3.8545 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 604.14 ± 0.11 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0586
• Residual factor for significantly intense reflections: 0.0336
• Weighted residual factors for significantly intense reflections: 0.0732
• Weighted residual factors for all reflections included in the refinement: 0.0816
• Goodness-of-fit parameter for all reflections included in the refinement: 0.938
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes