Information card for entry 2228924

Structure parameters

• Chemical name: 4-[(7-Fluoroquinazolin-4-yl)oxy]aniline
• Formula: C14 H10 F N3 O
• Calculated formula: C14 H10 F N3 O
• SMILES: Fc1cc2ncnc(Oc3ccc(N)cc3)c2cc1
• Title of publication: 4-[(7-Fluoroquinazolin-4-yl)oxy]aniline
• Authors of publication: Jia, Jing; Wang, Guibin; Lu, Dingqiang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 1
• Pages of publication: o229
• a: 8.021 ± 0.0016 Å
• b: 8.337 ± 0.0017 Å
• c: 17.562 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1174.4 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0722
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for significantly intense reflections: 0.0946
• Weighted residual factors for all reflections included in the refinement: 0.1098
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes