Information card for entry 2225662

Structure parameters

• Chemical name: 5-(4-Fluorophenyl)-4-(4-pyridyl)-1,3-oxazol-2-amine
• Formula: C14 H10 F N3 O
• Calculated formula: C14 H10 F N3 O
• SMILES: Fc1ccc(c2oc(N)nc2c2ccncc2)cc1
• Title of publication: 5-(4-Fluorophenyl)-4-(4-pyridyl)-1,3-oxazol-2-amine
• Authors of publication: Koch, Pierre; Schollmeyer, Dieter; Laufer, Stefan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 4
• Pages of publication: o917
• a: 10.1017 ± 0.0004 Å
• b: 8.3889 ± 0.0008 Å
• c: 29.127 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2468.3 ± 0.3 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 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: 0.0568
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.1097
• Weighted residual factors for all reflections included in the refinement: 0.1186
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes