Information card for entry 2230817

Structure parameters

• Chemical name: 2,6-Dichloro-3-nitropyridine
• Formula: C5 H2 Cl2 N2 O2
• Calculated formula: C5 H2 Cl2 N2 O2
• SMILES: Clc1nc(Cl)c(N(=O)=O)cc1
• Title of publication: 2,6-Dichloro-3-nitropyridine
• Authors of publication: Fun, Hoong-Kun; Arshad, Suhana; Chandrakantha, B.; Isloor, Arun M.; Shetty, Prakash
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 7
• Pages of publication: o1785
• a: 7.9021 ± 0.0008 Å
• b: 19.166 ± 0.002 Å
• c: 11.0987 ± 0.0009 Å
• α: 90°
• β: 122.072 ± 0.005°
• γ: 90°
• Cell volume: 1424.4 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1418
• Residual factor for significantly intense reflections: 0.0667
• Weighted residual factors for significantly intense reflections: 0.1466
• Weighted residual factors for all reflections included in the refinement: 0.1802
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes