Information card for entry 1548677

Structure parameters

• Chemical name: 2-Chloro-4-nitropyridine <i>N</i>-oxide
• Formula: C5 H3 Cl N2 O3
• Calculated formula: C5 H3 Cl N2 O3
• SMILES: Clc1n(=O)ccc(N(=O)=O)c1
• Title of publication: 2-Chloro-4-nitropyridine <i>N</i>-oxide
• Authors of publication: Shafer, Sarah K.; Lynch, Will E.; Padgett, Clifford W.
• Journal of publication: IUCrData
• Year of publication: 2018
• Journal volume: 3
• Journal issue: 1
• Pages of publication: x180016
• a: 5.9238 ± 0.0014 Å
• b: 9.735 ± 0.002 Å
• c: 22.444 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1294.3 ± 0.6 ų
• Cell temperature: 176 ± 2 K
• Ambient diffraction temperature: 176 K
• Number of distinct elements: 5
• 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: 0.0718
• Residual factor for significantly intense reflections: 0.0496
• Weighted residual factors for significantly intense reflections: 0.1204
• Weighted residual factors for all reflections included in the refinement: 0.1316
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes