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Information card for entry 2000112
Preview
| Coordinates | 2000112.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | 2-Imino-5-phenyl-thiazolidin-4-one |
|---|---|
| Formula | C9 H8 N2 O S |
| Calculated formula | C9 N2 O S |
| SMILES | NC1=NC(C(S1)c1ccccc1)=O |
| Title of publication | Structure cristalline de la molécule schématisée par l'équilibre tautomère: amino-2 phényl-5 thiazolinone-4 ⇌ imino-2 phényl-5 thiazolidinone-4 |
| Authors of publication | Mornon, J. P.; Raveau, B. |
| Journal of publication | Acta Crystallographica, Section B: Structural Crystallography and Crystal Chemistry |
| Year of publication | 1971 |
| Journal volume | 27 |
| Journal issue | 1 |
| Pages of publication | 95 - 108 |
| a | 9.3 ± 0.05 Å |
| b | 33.25 ± 0.15 Å |
| c | 6.75 ± 0.04 Å |
| α | 90° |
| β | 120 ± 0.3° |
| γ | 90° |
| Cell volume | 1807.63 Å3 |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for significantly intense reflections | 0.11 |
| Weighted residual factors for significantly intense reflections | 0.11 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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