Information card for entry 2235333

Structure parameters

• Chemical name: <i>rac</i>-2-(2-Chloro-6-methylquinolin-3-yl)-2,3- dihydroquinolin-4(1<i>H</i>)-one
• Formula: C19 H15 Cl N2 O
• Calculated formula: C19 H15 Cl N2 O
• SMILES: Clc1nc2c(cc1C1Nc3c(C(=O)C1)cccc3)cc(cc2)C
• Title of publication: <i>rac</i>-2-(2-Chloro-6-methylquinolin-3-yl)-2,3-dihydroquinolin-4(1<i>H</i>)-one
• Authors of publication: Bouraiou, Abdelmalek; Bouacida, Sofiane; Bertrand, Carboni; Roisnel, Thierry; Belfaitah, Ali
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 6
• Pages of publication: o1701 - o1702
• a: 13.8912 ± 0.0008 Å
• b: 12.4572 ± 0.0004 Å
• c: 17.8617 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3090.9 ± 0.3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1516
• Residual factor for significantly intense reflections: 0.0619
• Weighted residual factors for significantly intense reflections: 0.1293
• Weighted residual factors for all reflections included in the refinement: 0.1688
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes