Information card for entry 2241072

Structure parameters

• Chemical name: 2,6-Dichloro-4-nitropyridine <i>N</i>-oxide
• Formula: C5 H2 Cl2 N2 O3
• Calculated formula: C5 H2 Cl2 N2 O3
• SMILES: Clc1n(=O)c(Cl)cc(N(=O)=O)c1
• Title of publication: Crystal structure of 2,6-dichloro-4-nitropyridine <i>N</i>-oxide
• Authors of publication: Prichard, Andrew M.; Lynch, Will E.; Padgett, Clifford W.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 10
• Pages of publication: o775
• a: 5.964 ± 0.004 Å
• b: 9.51 ± 0.006 Å
• c: 26.192 ± 0.016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1485.5 ± 1.6 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 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: 0.0374
• Residual factor for significantly intense reflections: 0.0322
• Weighted residual factors for significantly intense reflections: 0.0752
• Weighted residual factors for all reflections included in the refinement: 0.0781
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes