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Information card for entry 2204298
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| Coordinates | 2204298.cif |
|---|---|
| Structure factors | 2204298.hkl |
| Original IUCr paper | HTML |
| Chemical name | 5-Fluorouracil Dimethylformamide (2/1) |
|---|---|
| Formula | C11 H13 F2 N5 O5 |
| Calculated formula | C11 H13 F2 N5 O5 |
| SMILES | FC1C(=O)NC(=O)NC=1.O=CN(C)C |
| Title of publication | 5-Fluorouracil–dimethylformamide (2/1) |
| Authors of publication | Hulme, Ashley T.; Tocher, Derek A. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2004 |
| Journal volume | 60 |
| Journal issue | 10 |
| Pages of publication | o1783 - o1785 |
| a | 14.7361 ± 0.0018 Å |
| b | 5.8693 ± 0.0007 Å |
| c | 16.397 ± 0.002 Å |
| α | 90° |
| β | 100.524 ± 0.002° |
| γ | 90° |
| Cell volume | 1394.3 ± 0.3 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0615 |
| Residual factor for significantly intense reflections | 0.0485 |
| Weighted residual factors for significantly intense reflections | 0.1024 |
| Weighted residual factors for all reflections included in the refinement | 0.1081 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.095 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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