Information card for entry 2225769

Structure parameters

• Chemical name: 1-[4-(2-Aminoanilino)phenyl]-2,2,2-trifluoroethanone
• Formula: C14 H11 F3 N2 O
• Calculated formula: C14 H11 F3 N2 O
• SMILES: c1(c(cccc1)N)Nc1ccc(cc1)C(=O)C(F)(F)F
• Title of publication: 1-[4-(2-Aminoanilino)phenyl]-2,2,2-trifluoroethanone
• Authors of publication: Dorn, Angelika; Schollmeyer, Dieter; Laufer, Stefan A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 5
• Pages of publication: o1149
• a: 13.0385 ± 0.0013 Å
• b: 8.7129 ± 0.0007 Å
• c: 22.424 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2547.4 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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: 0.0561
• Residual factor for significantly intense reflections: 0.0446
• Weighted residual factors for significantly intense reflections: 0.1174
• Weighted residual factors for all reflections included in the refinement: 0.1273
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes