Information card for entry 2015607

Structure parameters

• Common name: Compound 2
• Chemical name: 2,6-diiodo-3,5-dimethylpyridine
• Formula: C7 H7 I2 N
• Calculated formula: C7 H7 I2 N
• SMILES: c1(c(cc(c(n1)I)C)C)I
• Title of publication: 2,6-Dibromo-3,5-dimethylpyridine and 2,6-diiodo-3,5-dimethylpyridine
• Authors of publication: Pugh, David
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 10
• Pages of publication: o590 - o592
• a: 7.6194 ± 0.0003 Å
• b: 14.6296 ± 0.0006 Å
• c: 8.1057 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 903.53 ± 0.06 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0256
• Residual factor for significantly intense reflections: 0.0212
• Weighted residual factors for significantly intense reflections: 0.0452
• Weighted residual factors for all reflections included in the refinement: 0.0469
• Goodness-of-fit parameter for all reflections included in the refinement: 1.121
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes