Information card for entry 2224567

Structure parameters

• Chemical name: 3-Acetyl-6-chloro-4-phenylquinolin-2(1<i>H</i>)-one
• Formula: C17 H12 Cl N O2
• Calculated formula: C17 H12 Cl N O2
• SMILES: c1(=O)c(c(c2c(ccc(c2)Cl)[nH]1)c1ccccc1)C(=O)C
• Title of publication: 3-Acetyl-6-chloro-4-phenylquinolin-2(1<i>H</i>)-one
• Authors of publication: Sundar, J. Kalyana; Natarajan, S.; Sarveswari, S.; Vijayakumar, V.; Lakshman, P. L. Nilantha
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 1
• Pages of publication: o228
• a: 10.043 ± 0.005 Å
• b: 18.663 ± 0.009 Å
• c: 15.537 ± 0.007 Å
• α: 90°
• β: 91.811 ± 0.005°
• γ: 90°
• Cell volume: 2911 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1195
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for significantly intense reflections: 0.0947
• Weighted residual factors for all reflections included in the refinement: 0.1225
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes