Information card for entry 2238485

Structure parameters

• Chemical name: Dimethyl 6-iodo-2-methyl-1,2-dihydroquinoline-2,4-dicarboxylate
• Formula: C14 H14 I N O4
• Calculated formula: C14 H14 I N O4
• SMILES: Ic1cc2C(=CC(Nc2cc1)(C)C(=O)OC)C(=O)OC
• Title of publication: Dimethyl 6-iodo-2-methyl-1,2-dihydroquinoline-2,4-dicarboxylate
• Authors of publication: Gültekin, Zeynep; Frey, Wolfgang; Hökelek, Tuncer
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 9
• Pages of publication: o1476
• a: 7.7994 ± 0.0014 Å
• b: 10.2797 ± 0.0008 Å
• c: 10.8056 ± 0.0008 Å
• α: 116.862 ± 0.003°
• β: 103.956 ± 0.004°
• γ: 96.78 ± 0.004°
• Cell volume: 723.8 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0272
• Residual factor for significantly intense reflections: 0.0267
• Weighted residual factors for significantly intense reflections: 0.073
• Weighted residual factors for all reflections included in the refinement: 0.0733
• Goodness-of-fit parameter for all reflections included in the refinement: 1.239
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes