Information card for entry 2003799

Structure parameters

• Chemical name: 2-(2-Methoxyphenyl)pyridine-N-oxide
• Formula: C12 H11 N O2
• Calculated formula: C12 H11 N O2
• SMILES: n1(=O)c(cccc1)c1c(OC)cccc1
• Title of publication: 2-(2-Methoxyphenyl)pyridine 1-Oxide and its 3-Methyl Derivative
• Authors of publication: Wolska, I.; Kubicki, M.; Gawron, M.; Borowiak, T.; Antkowiak, W. Z.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 8
• Pages of publication: 1590 - 1593
• a: 7.032 ± 0.001 Å
• b: 7.443 ± 0.001 Å
• c: 19.574 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1024.5 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0413
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for all reflections: 0.1164
• Weighted residual factors for significantly intense reflections: 0.1157
• Goodness-of-fit parameter for all reflections: 1.098
• Goodness-of-fit parameter for significantly intense reflections: 1.113
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No