Information card for entry 1554489

Structure parameters

• Formula: C10 H8 F N3
• Calculated formula: C10 H8 F N3
• SMILES: Fc1cnc(N)nc1c1ccccc1
• Title of publication: Silver-promoted selective fluorination of 2-aminopyrimidines: synthesis of 5-fluoro-2-aminopyrimidine derivatives
• Authors of publication: Zhao, Mingzhu; Cai, Juewang; Zhao, Xiaoming
• Journal of publication: Organic Chemistry Frontiers
• Year of publication: 2019
• Journal volume: 6
• Journal issue: 4
• Pages of publication: 426
• a: 7.4865 ± 0.0008 Å
• b: 11.7277 ± 0.0013 Å
• c: 20.913 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1836.1 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.0552
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.0997
• Weighted residual factors for all reflections included in the refinement: 0.108
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No