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Information card for entry 2101102
Preview
| Coordinates | 2101102.cif |
|---|---|
| Original IUCr paper | HTML |
| Formula | C24 H18 Cl2 N2 O4 |
|---|---|
| Calculated formula | C24 H18 Cl2 N2 O4 |
| SMILES | OC(=O)CN1C(=O)N(C(=O)C1(c1ccccc1)c1ccccc1)Cc1ccc(cc1Cl)Cl |
| Title of publication | Molecular and electronic structures of two (anticonvulsant) diphenylhydantoin derivatives |
| Authors of publication | Ciechanowicz-Rutkowska, M.; Kieć-Kononowicz, K.; Howard, S. T.; Lieberman, H.; Hursthouse, M. B. |
| Journal of publication | Acta Crystallographica Section B |
| Year of publication | 1994 |
| Journal volume | 50 |
| Journal issue | 1 |
| Pages of publication | 86 - 96 |
| a | 8.0392 ± 0.0007 Å |
| b | 9.7237 ± 0.0006 Å |
| c | 26.9768 ± 0.0012 Å |
| α | 90° |
| β | 94.281 ± 0.004° |
| γ | 90° |
| Cell volume | 2102.9 ± 0.2 Å3 |
| 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 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | Mo |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
Version history
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Users of the data should acknowledge the original authors of the
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