Information card for entry 2223637

Structure parameters

• Chemical name: 2-Chloro-6-methoxyquinoline-3-carbaldehyde
• Formula: C11 H8 Cl N O2
• Calculated formula: C11 H8 Cl N O2
• SMILES: Clc1nc2c(cc1C=O)cc(OC)cc2
• Title of publication: 2-Chloro-6-methoxyquinoline-3-carbaldehyde
• Authors of publication: Subashini, R.; Khan, F. Nawaz; Gund, Machhindra; Hathwar, Venkatesha R.; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 11
• Pages of publication: o2723
• a: 7.7072 ± 0.0009 Å
• b: 14.3474 ± 0.0013 Å
• c: 9.3487 ± 0.001 Å
• α: 90°
• β: 109.415 ± 0.002°
• γ: 90°
• Cell volume: 974.98 ± 0.18 ų
• Cell temperature: 290 ± 2 K
• Ambient diffraction temperature: 290 ± 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: 0.0538
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.1024
• Weighted residual factors for all reflections included in the refinement: 0.1148
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes