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Information card for entry 2214278
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| Coordinates | 2214278.cif |
|---|---|
| Structure factors | 2214278.hkl |
| Original IUCr paper | HTML |
| 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 Å3 |
| 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 |
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