Information card for entry 2006840

Structure parameters

• Chemical name: 4-phenyl-5,6,8-trichloro-3,4-dihydroquinoline-2(1H)one
• Formula: C15 H10 Cl3 N O
• Calculated formula: C15 H10 Cl3 N O
• SMILES: Clc1c(Cl)cc(Cl)c2NC(=O)CC(c12)c1ccccc1
• Title of publication: 5,6,8-Trichloro-4-phenyl-3,4-dihydroquinolin-2(1<i>H</i>)-one
• Authors of publication: Thirumurugan, R.; Shanmuga Sundara Raj, S.; Murugan, P.; Ramakrishnan, V. T.; Chacko, K. K.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 12
• Pages of publication: 1862 - 1864
• a: 8.455 ± 0.003 Å
• b: 7.798 ± 0.003 Å
• c: 21.508 ± 0.005 Å
• α: 90°
• β: 91.37 ± 0.02°
• γ: 90°
• Cell volume: 1417.7 ± 0.8 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0842
• Residual factor for significantly intense reflections: 0.0729
• Weighted residual factors for all reflections: 0.2203
• Weighted residual factors for significantly intense reflections: 0.1926
• Goodness-of-fit parameter for all reflections: 1.08
• Goodness-of-fit parameter for significantly intense reflections: 1.017
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No