Information card for entry 2231213

Structure parameters

• Chemical name: 2-(2-Chloro-6,7-dimethylquinolin-3-yl)-2,3-dihydroquinolin-4(1<i>H</i>)-one
• Formula: C20 H17 Cl N2 O
• Calculated formula: C20 H17 Cl N2 O
• SMILES: c1(c(cc2cc(c(cc2n1)C)C)C1CC(=O)c2ccccc2N1)Cl
• Title of publication: 2-(2-Chloro-6,7-dimethylquinolin-3-yl)-2,3-dihydroquinolin-4(1<i>H</i>)-one
• Authors of publication: Benzerka, Saida; Bouraiou, Abdelmalek; Bouacida, Sofiane; Roisnel, Thierry; Belfaitah, Ali
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 8
• Pages of publication: o2084 - o2085
• a: 7.7345 ± 0.0004 Å
• b: 10.6196 ± 0.0006 Å
• c: 11.3463 ± 0.0004 Å
• α: 96.425 ± 0.002°
• β: 100.068 ± 0.003°
• γ: 109.576 ± 0.001°
• Cell volume: 849.84 ± 0.07 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.085
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for significantly intense reflections: 0.114
• Weighted residual factors for all reflections included in the refinement: 0.1333
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No