Information card for entry 8103255

Structure parameters

• Common name: 2-picolyl-<i>N</i>-oxide
• Chemical name: 2-methyl-pyridine-<i>N</i>-oxide
• Formula: C6 H7 N O
• Calculated formula: C6 H7 N O
• SMILES: O=n1c(cccc1)C
• Title of publication: Crystal structure of 2-methyl-pyridine-N-oxide, C6H7NO
• Authors of publication: Richard Betz; Thomas Gerber; Henk Schalekamp
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2011
• Journal volume: 226
• Journal issue: 4
• Pages of publication: 603
• a: 5.7327 ± 0.0006 Å
• b: 13.3469 ± 0.0014 Å
• c: 14.593 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1116.6 ± 0.2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0842
• Residual factor for significantly intense reflections: 0.0596
• Weighted residual factors for significantly intense reflections: 0.1064
• Weighted residual factors for all reflections included in the refinement: 0.1218
• Goodness-of-fit parameter for all reflections included in the refinement: 1.113
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No