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Information card for entry 2203229
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| Coordinates | Coordinates are not available: file is not found. |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | 5-chloro-6-(2-fluorobenzoyl)-1,3-benzoxazol-2(3H)-one |
|---|---|
| Formula | C14 H7 Cl F N O3 |
| Calculated formula | C14 H7 Cl F N O3 |
| SMILES | Clc1cc2NC(=O)Oc2cc1C(=O)c1ccccc1F |
| Title of publication | 5-Chloro-6-(2-fluorobenzoyl)-1,3-benzoxazol-2(3<i>H</i>)-one |
| Authors of publication | Abdullah Aydın; Tijen Önkol; Mehmet Akkurt; Orhan Büyükgüngör; Serdar Ünlü |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2004 |
| Journal volume | 60 |
| Journal issue | 2 |
| Pages of publication | o244 - o245 |
| a | 7.723 ± 0.007 Å |
| b | 14.255 ± 0.001 Å |
| c | 22.53 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2480 ± 2 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 6 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0637 |
| Residual factor for significantly intense reflections | 0.0317 |
| Weighted residual factors for significantly intense reflections | 0.0683 |
| Weighted residual factors for all reflections included in the refinement | 0.0727 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.858 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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