Information card for entry 2235889

Structure parameters

• Chemical name: (<i>S</i>,<i>E</i>)-3-[(2-Hydroxybenzylidene)amino]-2-(2-hydroxyphenyl)- 2,3-dihydroquinazolin-4(1<i>H</i>)-one
• Formula: C21 H17 N3 O3
• Calculated formula: C21 H17 N3 O3
• SMILES: O=C1N(/N=C/c2ccccc2O)[C@H](Nc2ccccc12)c1ccccc1O
• Title of publication: (<i>S</i>,<i>E</i>)-3-[(2-Hydroxybenzylidene)amino]-2-(2-hydroxyphenyl)-2,3-dihydroquinazolin-4(1<i>H</i>)-one
• Authors of publication: Tinguiano, Daniel; Sy, Adama; Thiam, Ibrahima Elhadj; Gaye, Mohamed; Retailleau, Pascal
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 8
• Pages of publication: o2374 - o2375
• a: 13.344 ± 0.015 Å
• b: 10.693 ± 0.014 Å
• c: 23.537 ± 0.013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3358 ± 6 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 4
• Space group number: 20
• Hermann-Mauguin space group symbol: C 2 2 21
• Hall space group symbol: C 2c 2
• Residual factor for all reflections: 0.0382
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.0944
• Weighted residual factors for all reflections included in the refinement: 0.0983
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes