Information card for entry 2225899

Structure parameters

• Chemical name: 2-chloro-3-nitropyridine
• Formula: C5 H3 Cl N2 O2
• Calculated formula: C5 H3 Cl N2 O2
• SMILES: Clc1ncccc1N(=O)=O
• Title of publication: 2-Chloro-3-nitropyridine
• Authors of publication: Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 5
• Pages of publication: o1020
• a: 7.613 ± 0.001 Å
• b: 12.232 ± 0.002 Å
• c: 7.716 ± 0.001 Å
• α: 90°
• β: 118.485 ± 0.002°
• γ: 90°
• Cell volume: 631.55 ± 0.16 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0562
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for significantly intense reflections: 0.094
• Weighted residual factors for all reflections included in the refinement: 0.108
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes