Information card for entry 2227324

Structure parameters

• Common name: 2-Methoxyquinoline-3-carbaldehyde
• Chemical name: 2-Methoxyquinoline-3-carbaldehyde
• Formula: C11 H9 N O2
• Calculated formula: C11 H9 N O2
• SMILES: O(c1nc2c(cc1C=O)cccc2)C
• Title of publication: 2-Methoxyquinoline-3-carbaldehyde
• Authors of publication: Chandraprakash, K.; Ramesh, P.; Ravichandran, K.; Mohan, P. S.; Ponnuswamy, M. N.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 10
• Pages of publication: o2510
• a: 8.8206 ± 0.0006 Å
• b: 4.8446 ± 0.0003 Å
• c: 21.6828 ± 0.0014 Å
• α: 90°
• β: 90.612 ± 0.004°
• γ: 90°
• Cell volume: 926.5 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.0609
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.1178
• Weighted residual factors for all reflections included in the refinement: 0.1302
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes