Information card for entry 2225471

Structure parameters

• Chemical name: 2-Chloro-5-nitropyridine
• Formula: C5 H3 Cl N2 O2
• Calculated formula: C5 H3 Cl N2 O2
• SMILES: Clc1ncc(N(=O)=O)cc1
• Title of publication: 2-Chloro-5-nitropyridine
• Authors of publication: Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 4
• Pages of publication: o848
• a: 3.7599 ± 0.0008 Å
• b: 5.8641 ± 0.0013 Å
• c: 7.0189 ± 0.0015 Å
• α: 84.687 ± 0.003°
• β: 89.668 ± 0.003°
• γ: 76.02 ± 0.003°
• Cell volume: 149.5 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0582
• Residual factor for significantly intense reflections: 0.0556
• Weighted residual factors for significantly intense reflections: 0.1405
• Weighted residual factors for all reflections included in the refinement: 0.1425
• Goodness-of-fit parameter for all reflections included in the refinement: 1.167
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes