Information card for entry 2224034

Structure parameters

• Chemical name: 2-Chloroquinoline-3-carbaldehyde
• Formula: C10 H6 Cl N O
• Calculated formula: C10 H6 Cl N O
• SMILES: Clc1nc2c(cc1C=O)cccc2
• Title of publication: 2-Chloroquinoline-3-carbaldehyde
• Authors of publication: Khan, F. Nawaz; Subashini, R.; 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: o2710
• a: 11.8784 ± 0.0009 Å
• b: 3.9235 ± 0.0003 Å
• c: 18.1375 ± 0.0012 Å
• α: 90°
• β: 101.365 ± 0.004°
• γ: 90°
• Cell volume: 828.72 ± 0.11 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: 0.045
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.106
• Weighted residual factors for all reflections included in the refinement: 0.145
• Goodness-of-fit parameter for all reflections included in the refinement: 1.19
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes