Information card for entry 2232323

Structure parameters

• Chemical name: 2-Chloro-5-methyl-3-nitropyridine
• Formula: C6 H5 Cl N2 O2
• Calculated formula: C6 H5 Cl N2 O2
• SMILES: Clc1ncc(cc1N(=O)=O)C
• Title of publication: 2-Chloro-5-methyl-3-nitropyridine
• Authors of publication: Zhang, Da-Tong; Huo, Ling-Yan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 11
• Pages of publication: o3134
• a: 21.435 ± 0.006 Å
• b: 8.151 ± 0.002 Å
• c: 8.494 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1484 ± 0.7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.048
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.0869
• Weighted residual factors for all reflections included in the refinement: 0.0934
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes