Information card for entry 2104620

Structure parameters

• Common name: N-oxipicoline
• Chemical name: 4-methylpyridine-N-oxide
• Formula: C6 D7 N O
• Calculated formula: C6 D6.75 N O
• Title of publication: Towards a more reliable symmetry determination from powder diffraction: a redetermination of the low-temperature structure of 4-methylpyridine-<i>N</i>-oxide
• Authors of publication: Palatinus, Lukáš; Damay, Françoise
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 6
• Pages of publication: 784 - 786
• a: 15.4073 ± 0.0002 Å
• b: 15.4073 ± 0.0002 Å
• c: 19.6748 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4670.5 ± 0.11 ų
• Cell temperature: 10 K
• Number of distinct elements: 4
• Space group number: 92
• Hermann-Mauguin space group symbol: P 41 21 2
• Hall space group symbol: P 4abw 2nw
• Method of determination: powder diffraction
• Diffraction radiation probe: neutron
• Diffraction radiation wavelength: 1.2253 Å
• Diffraction radiation type: ConstantWavelengthNeutronDiffraction
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No