Information card for entry 2227490

Structure parameters

• Chemical name: 2-(Pyrimidin-2-yloxy)phenol
• Formula: C10 H8 N2 O2
• Calculated formula: C10 H8 N2 O2
• SMILES: O(c1ncccn1)c1ccccc1O
• Title of publication: 2-(Pyrimidin-2-yloxy)phenol
• Authors of publication: Nasir, Shah Bakhtiar; Abdullah, Zanariah; Fairuz, Zainal A.; Ng, Seik Weng; Tiekink, Edward R. T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 9
• Pages of publication: o2212
• a: 18.0849 ± 0.0018 Å
• b: 7.3293 ± 0.0008 Å
• c: 13.3983 ± 0.0014 Å
• α: 90°
• β: 92.521 ± 0.001°
• γ: 90°
• Cell volume: 1774.2 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.053
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.099
• Weighted residual factors for all reflections included in the refinement: 0.112
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes