Information card for entry 2227510

Structure parameters

• Chemical name: 2-(4-Methoxyphenoxy)-3-nitropyridine
• Formula: C12 H10 N2 O4
• Calculated formula: C12 H10 N2 O4
• SMILES: O=N(=O)c1c(Oc2ccc(OC)cc2)nccc1
• Title of publication: 2-(4-Methoxyphenoxy)-3-nitropyridine
• 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: o2428
• a: 7.4737 ± 0.001 Å
• b: 12.8128 ± 0.0017 Å
• c: 24.529 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2348.9 ± 0.5 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: 0.073
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.1
• 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