Information card for entry 2227662

Structure parameters

• Chemical name: 2-Anilino-3-(2-hydroxyphenyl)quinazolin-4(3<i>H</i>)-one methanol monosolvate
• Formula: C21 H19 N3 O3
• Calculated formula: C21 H19 N3 O3
• SMILES: c12c(cccc1)nc(n(c2=O)c1c(cccc1)O)Nc1ccccc1.CO
• Title of publication: 2-Anilino-3-(2-hydroxyphenyl)quinazolin-4(3<i>H</i>)-one methanol monosolvate
• Authors of publication: Liu, Bi; Chen, Xiao-Bao; Yang, Xu-Hong; Pan, Dong-Feng; Ma, Jun-Kai
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 9
• Pages of publication: o2225 - o2226
• a: 11.5575 ± 0.0018 Å
• b: 8.7305 ± 0.0013 Å
• c: 18.892 ± 0.003 Å
• α: 90°
• β: 106.251 ± 0.002°
• γ: 90°
• Cell volume: 1830.1 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0632
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.1143
• Weighted residual factors for all reflections included in the refinement: 0.1225
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes