Information card for entry 2224080

Structure parameters

• Chemical name: 2-Chloro-7-methylquinoline-3-carbaldehyde
• Formula: C11 H8 Cl N O
• Calculated formula: C11 H8 Cl N O
• SMILES: Clc1nc2c(cc1C=O)ccc(c2)C
• Title of publication: 2-Chloro-7-methylquinoline-3-carbaldehyde
• Authors of publication: Subashini, R.; Khan, F. Nawaz; Kumar, Rajesh; 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: o2721
• a: 15.458 ± 0.003 Å
• b: 3.9382 ± 0.0008 Å
• c: 16.923 ± 0.003 Å
• α: 90°
• β: 112.854 ± 0.003°
• γ: 90°
• Cell volume: 949.3 ± 0.3 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0965
• Residual factor for significantly intense reflections: 0.0779
• Weighted residual factors for significantly intense reflections: 0.1918
• Weighted residual factors for all reflections included in the refinement: 0.2088
• Goodness-of-fit parameter for all reflections included in the refinement: 1.125
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes