Information card for entry 7239101

Structure parameters

• Formula: C16 H13 N3 O
• Calculated formula: C16 H13 N3 O
• Title of publication: Copper-catalyzed sequential arylation and intramolecular annulation of 2-(2-bromophenyl)-2,3-dihydroquinazolin-4(1H)-ones with amidines
• Authors of publication: Duan, Fujun; Liu, Miaochang; Chen, Jiuxi; Ding, Jinchang; Hu, Yuefei; Wu, Huayue
• Journal of publication: RSC Advances
• Year of publication: 2013
• Journal volume: 3
• Journal issue: 46
• Pages of publication: 24001
• a: 8.5996 ± 0.0013 Å
• b: 14.555 ± 0.002 Å
• c: 20.633 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2582.6 ± 0.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• 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: 0.1025
• Residual factor for significantly intense reflections: 0.0511
• Weighted residual factors for significantly intense reflections: 0.1391
• Weighted residual factors for all reflections included in the refinement: 0.1744
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No