Information card for entry 2238740

Structure parameters

• Chemical name: 2-(2-Chloro-8-methylquinolin-3-yl)-4-phenyl-1,2-dihydroquinazoline
• Formula: C24 H18 Cl N3
• Calculated formula: C24 H18 Cl N3
• SMILES: Clc1nc2c(cc1C1Nc3ccccc3C(=N1)c1ccccc1)cccc2C
• Title of publication: 2-(2-Chloro-8-methylquinolin-3-yl)-4-phenyl-1,2-dihydroquinazoline
• Authors of publication: Derabli, Chamseddine; Boulcina, Raouf; Bouacida, Sofiane; Merazig, Hocine; Debache, Abdelmadjid
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 11
• Pages of publication: o1719 - o1720
• a: 14.4553 ± 0.0013 Å
• b: 8.7501 ± 0.0009 Å
• c: 16.863 ± 0.0016 Å
• α: 90°
• β: 119.696 ± 0.006°
• γ: 90°
• Cell volume: 1852.8 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• 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: 0.037
• Residual factor for significantly intense reflections: 0.0312
• Weighted residual factors for significantly intense reflections: 0.0787
• Weighted residual factors for all reflections included in the refinement: 0.0823
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No