Information card for entry 2226929

Structure parameters

• Chemical name: 2-(3-Methoxyphenoxy)pyrimidine
• Formula: C11 H10 N2 O2
• Calculated formula: C11 H10 N2 O2
• SMILES: O(c1ncccn1)c1cc(OC)ccc1
• Title of publication: 2-(3-Methoxyphenoxy)pyrimidine
• 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: 8
• Pages of publication: o2187
• a: 8.812 ± 0.0016 Å
• b: 18.215 ± 0.003 Å
• c: 7.2094 ± 0.001 Å
• α: 90°
• β: 119.38 ± 0.002°
• γ: 90°
• Cell volume: 1008.4 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.049
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.075
• Weighted residual factors for all reflections included in the refinement: 0.086
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes