Information card for entry 2222589

Structure parameters

• Chemical name: 4-Amino-2-phenoxypyrimidine
• Formula: C10 H9 N3 O
• Calculated formula: C10 H9 N3 O
• SMILES: O(c1ccccc1)c1nccc(n1)N
• Title of publication: 4-Amino-2-phenoxypyrimidine
• Authors of publication: Shah Bakhtiar, Nasir; Abdullah, Zanariah; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 8
• Pages of publication: o1858
• a: 8.8443 ± 0.0003 Å
• b: 12.1214 ± 0.0003 Å
• c: 9.0415 ± 0.0002 Å
• α: 90°
• β: 96.751 ± 0.002°
• γ: 90°
• Cell volume: 962.58 ± 0.05 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• 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: 0.07
• Residual factor for significantly intense reflections: 0.0549
• Weighted residual factors for significantly intense reflections: 0.153
• Weighted residual factors for all reflections included in the refinement: 0.1632
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes