Information card for entry 2239238

Structure parameters

• Chemical name: 2-Chloro-<i>N</i>-(2-chlorobenzoyl)-<i>N</i>-(2-ethyl-4-oxo-3,4-dihydroquinazolin-3-yl)benzamide
• Formula: C24 H17 Cl2 N3 O3
• Calculated formula: C24 H17 Cl2 N3 O3
• SMILES: CCc1nc2ccccc2c(=O)n1N(C(=O)c1ccccc1Cl)C(=O)c1ccccc1Cl
• Title of publication: 2-Chloro-<i>N</i>-(2-chlorobenzoyl)-<i>N</i>-(2-ethyl-4-oxo-3,4-dihydroquinazolin-3-yl)benzamide
• Authors of publication: Bakare, Oladapo; Thompson, Candice; Brandy, Yakini; Butcher, Ray J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 4
• Pages of publication: o503 - o504
• a: 17.2597 ± 0.0006 Å
• b: 13.5463 ± 0.0004 Å
• c: 18.9683 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4434.9 ± 0.3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.2096
• Residual factor for significantly intense reflections: 0.0438
• Weighted residual factors for significantly intense reflections: 0.058
• Weighted residual factors for all reflections included in the refinement: 0.0788
• Goodness-of-fit parameter for all reflections included in the refinement: 0.771
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes