Information card for entry 2214278

Structure parameters

• Chemical name: 3-(4-Fluorophenyl)-2-morpholinoquinazolin-4(3H)-one
• Formula: C18 H16 F N3 O2
• Calculated formula: C18 H16 F N3 O2
• SMILES: c1cccc2c1nc(n(c2=O)c1ccc(cc1)F)N1CCOCC1
• Title of publication: 3-(4-Fluorophenyl)-2-morpholinoquinazolin-4(3<i>H</i>)-one
• Authors of publication: Chang-Quan Cai; Hong Luo; Ping He; Zhen-Zhen Yang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 7
• Pages of publication: o3196 - o3196
• a: 22.9526 ± 0.0007 Å
• b: 22.9526 ± 0.0007 Å
• c: 12.7318 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6707.4 ± 0.5 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 292 ± 2 K
• Number of distinct elements: 5
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.075
• Residual factor for significantly intense reflections: 0.0592
• Weighted residual factors for significantly intense reflections: 0.1482
• Weighted residual factors for all reflections included in the refinement: 0.1582
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes