Information card for entry 2234815

Structure parameters

• Chemical name: 2-Chloro-5-nitropyridin-4-amine
• Formula: C5 H4 Cl N3 O2
• Calculated formula: C5 H4 Cl N3 O2
• SMILES: O=N(=O)c1cnc(cc1N)Cl
• Title of publication: 2-Chloro-5-nitropyridin-4-amine
• Authors of publication: He, Jian-Ling
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 5
• Pages of publication: o1540
• a: 14.596 ± 0.002 Å
• b: 6.2782 ± 0.001 Å
• c: 7.3018 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 669.11 ± 0.18 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0326
• Residual factor for significantly intense reflections: 0.0282
• Weighted residual factors for significantly intense reflections: 0.0792
• Weighted residual factors for all reflections included in the refinement: 0.0821
• Goodness-of-fit parameter for all reflections included in the refinement: 1.155
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes