Information card for entry 2224036

Structure parameters

• Chemical name: 2-Chlorobenzo[<i>h</i>]quinoline-3-carbaldehyde
• Formula: C14 H8 Cl N O
• Calculated formula: C14 H8 Cl N O
• SMILES: Clc1nc2c(cc1C=O)ccc1ccccc21
• Title of publication: 2-Chlorobenzo[<i>h</i>]quinoline-3-carbaldehyde
• Authors of publication: Roopan, S. Mohana; Khan, F. Nawaz; Subashini, R.; 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: o2711
• a: 3.9833 ± 0.0002 Å
• b: 12.4722 ± 0.0006 Å
• c: 21.4561 ± 0.0013 Å
• α: 90°
• β: 90.687 ± 0.006°
• γ: 90°
• Cell volume: 1065.87 ± 0.1 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: 0.112
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.075
• Weighted residual factors for all reflections included in the refinement: 0.087
• Goodness-of-fit parameter for all reflections included in the refinement: 0.81
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes