Information card for entry 2222133

Structure parameters

• Chemical name: 2-Iodo-3-nitropyridine
• Formula: C5 H3 I N2 O2
• Calculated formula: C5 H3 I N2 O2
• SMILES: Ic1c(N(=O)=O)cccn1
• Title of publication: 2-Iodo-3-nitropyridine
• Authors of publication: Mao, Li-Hua; Chen, Yan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 6
• Pages of publication: o1428
• a: 8.0169 ± 0.0015 Å
• b: 12.313 ± 0.002 Å
• c: 8.0999 ± 0.0015 Å
• α: 90°
• β: 119.66 ± 0.02°
• γ: 90°
• Cell volume: 694.8 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0323
• Residual factor for significantly intense reflections: 0.0302
• Weighted residual factors for significantly intense reflections: 0.0741
• Weighted residual factors for all reflections included in the refinement: 0.0754
• Goodness-of-fit parameter for all reflections included in the refinement: 1.12
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes