Information card for entry 1559332

Structure parameters

• Common name: Pyridine-4-carboxamidoxime <i>N</i>-oxide
• Chemical name: (<i>Z</i>)-4-(<i>N</i>'-Hydroxycarbamimidoyl)pyridine <i>N</i>-oxide
• Formula: C6 H7 N3 O2
• Calculated formula: C6 H7 N3 O2
• SMILES: n1(ccc(cc1)/C(N)=N/O)=O
• Title of publication: Pyridine-4-carboxamidoxime <i>N</i>-oxide
• Authors of publication: Padgett, Clifford W.; Sheriff, Kirkland; Lynch, Will E.
• Journal of publication: IUCrData
• Year of publication: 2020
• Journal volume: 5
• Journal issue: 10
• Pages of publication: x201335
• a: 7.413 ± 0.0008 Å
• b: 9.2858 ± 0.0007 Å
• c: 10.1238 ± 0.001 Å
• α: 90°
• β: 102.841 ± 0.01°
• γ: 90°
• Cell volume: 679.45 ± 0.12 ų
• Cell temperature: 170 K
• Ambient diffraction temperature: 170 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0553
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.0922
• Weighted residual factors for all reflections included in the refinement: 0.1009
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes