Information card for entry 2216072

Structure parameters

• Chemical name: 2-(4-Flouroanilino)tropone
• Formula: C13 H10 F N O
• Calculated formula: C13 H10 F N O
• SMILES: Fc1ccc(Nc2c(=O)ccccc2)cc1
• Title of publication: 2-(4-Flouroanilino)tropone
• Authors of publication: Steyl, Gideon
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 11
• Pages of publication: o4353 - o4353
• a: 9.9075 ± 0.0003 Å
• b: 17.5746 ± 0.0005 Å
• c: 12.2212 ± 0.0004 Å
• α: 90°
• β: 96.714 ± 0.001°
• γ: 90°
• Cell volume: 2113.37 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.039
• Residual factor for significantly intense reflections: 0.0324
• Weighted residual factors for significantly intense reflections: 0.0768
• Weighted residual factors for all reflections included in the refinement: 0.0834
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes