Information card for entry 2214007

Structure parameters

• Common name: dimethyl 4-iodopyridine-2,6-dicarboxylate
• Chemical name: dimethyl 4-iodopyridine-2,6-dicarboxylate
• Formula: C9 H8 I N O4
• Calculated formula: C9 H8 I N O4
• SMILES: Ic1cc(nc(c1)C(=O)OC)C(=O)OC
• Title of publication: Dimethyl 4-iodopyridine-2,6-dicarboxylate
• Authors of publication: Abhayawardhana, Anusha D.; Parvez, Masood; Sutherland, Todd C.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 6
• Pages of publication: o2963 - o2965
• a: 4.212 ± 0.0012 Å
• b: 13.359 ± 0.002 Å
• c: 19.236 ± 0.002 Å
• α: 99.936 ± 0.005°
• β: 94.326 ± 0.006°
• γ: 96.79 ± 0.006°
• Cell volume: 1053.6 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.108
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.076
• Weighted residual factors for all reflections included in the refinement: 0.096
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes