Information card for entry 7156235

Structure parameters

• Formula: C15 H12 Br N3 O
• Calculated formula: C15 H12 Br N3 O
• Title of publication: Regioselective synthesis and biological evaluation of N-substituted 2-aminoquinazolin-4-ones.
• Authors of publication: Liao, Zhen-Yuan; Yeh, Wen-Hsiung; Liao, Pen-Yuan; Liu, Yu-Ting; Chen, Ying-Cheng; Chen, Yi-Hung; Hsieh, Tsung-Han; Lin, Chia-Chi; Lu, Ming-Hsuan; Chen, Yi-Song; Hsu, Ming-Chih; Li, Tsai-Kun; Chien, Tun-Cheng
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2018
• Journal volume: 16
• Journal issue: 24
• Pages of publication: 4482 - 4494
• a: 6.4056 ± 0.0002 Å
• b: 22.7204 ± 0.0007 Å
• c: 9.3434 ± 0.0003 Å
• α: 90°
• β: 100.885 ± 0.002°
• γ: 90°
• Cell volume: 1335.35 ± 0.07 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0332
• Residual factor for significantly intense reflections: 0.0258
• Weighted residual factors for significantly intense reflections: 0.0762
• Weighted residual factors for all reflections included in the refinement: 0.0914
• Goodness-of-fit parameter for all reflections included in the refinement: 1.201
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No