Information card for entry 2224056

Structure parameters

• Chemical name: 1-(6-Chloro-2-methyl-4-phenyl-3-quinolyl)ethanone
• Formula: C18 H14 Cl N O
• Calculated formula: C18 H14 Cl N O
• SMILES: Clc1cc2c(nc(c(c2c2ccccc2)C(=O)C)C)cc1
• Title of publication: 1-(6-Chloro-2-methyl-4-phenyl-3-quinolyl)ethanone
• Authors of publication: Fun, Hoong-Kun; Loh, Wan-Sin; Sarveswari, S.; Vijayakumar, V.; Reddy, B. Palakshi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 11
• Pages of publication: o2688 - o2689
• a: 10.4633 ± 0.0002 Å
• b: 7.7959 ± 0.0001 Å
• c: 17.5925 ± 0.0003 Å
• α: 90°
• β: 90.887 ± 0.001°
• γ: 90°
• Cell volume: 1434.86 ± 0.04 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.0428
• Residual factor for significantly intense reflections: 0.0363
• Weighted residual factors for significantly intense reflections: 0.1025
• Weighted residual factors for all reflections included in the refinement: 0.1071
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes