Information card for entry 2218467

Structure parameters

• Chemical name: 4-(4-Fluorophenyl)-6-(2-furyl)pyrimidin-2-amine
• Formula: C14 H10 F N3 O
• Calculated formula: C14 H10 F N3 O
• SMILES: Fc1ccc(cc1)c1nc(nc(c1)c1occc1)N
• Title of publication: 4-(4-Fluorophenyl)-6-(2-furyl)pyrimidin-2-amine
• Authors of publication: Bukhari, Mujahid Hussain; Siddiqui, Hamid Latif; Chaudhary, Muhammad Ashraf; Hussain, Tanvir; Parvez, Masood
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 6
• Pages of publication: o963
• a: 11.629 ± 0.004 Å
• b: 5.992 ± 0.003 Å
• c: 16.389 ± 0.006 Å
• α: 90°
• β: 97.69 ± 0.02°
• γ: 90°
• Cell volume: 1131.7 ± 0.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.064
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.11
• Weighted residual factors for all reflections included in the refinement: 0.123
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes