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Information card for entry 2008203
Preview
| Coordinates | 2008203.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | 5-(4-pyridyl)-5-phenylhydantoin |
|---|---|
| Formula | C14 H11 N3 O2 |
| Calculated formula | C14 H11 N3 O2 |
| SMILES | C1(=O)NC(=O)[C@](N1)(c1ccccc1)c1ccncc1 |
| Title of publication | 5-(4-Pyridyl)-5-phenylhydantoin |
| Authors of publication | Eknoian, Michael W.; Webb, Thomas R.; Worley, S. Davis; Braswell, Anthony; Hadley, Johnathan |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1999 |
| Journal volume | 55 |
| Journal issue | 3 |
| Pages of publication | 405 - 407 |
| a | 7.268 ± 0.002 Å |
| b | 12.747 ± 0.002 Å |
| c | 13.357 ± 0.004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1237.5 ± 0.5 Å3 |
| Cell temperature | 294 ± 2 K |
| Ambient diffraction temperature | 294 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0338 |
| Residual factor for significantly intense reflections | 0.0306 |
| Weighted residual factors for all reflections | 0.0784 |
| Weighted residual factors for significantly intense reflections | 0.076 |
| Goodness-of-fit parameter for all reflections | 1.111 |
| Goodness-of-fit parameter for significantly intense reflections | 1.12 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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