Information card for entry 2008367

Structure parameters

• Chemical name: 2-Acetylamino-6-methylpyridine N-oxide monohydrate
• Formula: C8 H12 N2 O3
• Calculated formula: C8 H12 N2 O3
• SMILES: O=n1c(cccc1NC(=O)C)C.O
• Title of publication: 2-Acetylamino-6-methylpyridine <i>N</i>-oxide monohydrate
• Authors of publication: Shyamaprasad Goswami; Kumaresh Ghosh; Ajit Kumar Mahapatra; Gur Dayal Nigam; Kandasamy Chinnakali; Hoong-Kun Fun
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 4
• Pages of publication: 579 - 581
• a: 7.1276 ± 0.0006 Å
• b: 7.886 ± 0.0006 Å
• c: 8.9938 ± 0.0007 Å
• α: 100.143 ± 0.002°
• β: 91.493 ± 0.002°
• γ: 110.972 ± 0.001°
• Cell volume: 462.47 ± 0.06 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.071
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for all reflections included in the refinement: 0.161
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No