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Information card for entry 1543472
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| Coordinates | 1543472.cif |
|---|---|
| Structure factors | 1543472.hkl |
| Original IUCr paper | HTML |
| Chemical name | Ethyl 2-[(5<i>Z</i>)-5-(4-methylbenzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]acetate |
|---|---|
| Formula | C15 H15 N O4 S |
| Calculated formula | C15 H15 N O4 S |
| SMILES | S1/C(=C\c2ccc(cc2)C)C(=O)N(C1=O)CC(=O)OCC |
| Title of publication | Ethyl 2-[(5<i>Z</i>)-5-(4-methylbenzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]acetate |
| Authors of publication | Khalid, Karrouchi; Tachallait, Hamza; Khalid, Bougrin; Mague, Joel T.; Ramli, Youssef |
| Journal of publication | IUCrData |
| Year of publication | 2016 |
| Journal volume | 1 |
| Journal issue | 6 |
| Pages of publication | x160851 |
| a | 4.731 ± 0.0001 Å |
| b | 11.9082 ± 0.0003 Å |
| c | 13.2907 ± 0.0004 Å |
| α | 87.354 ± 0.001° |
| β | 82.381 ± 0.001° |
| γ | 85.283 ± 0.001° |
| Cell volume | 739.17 ± 0.03 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0391 |
| Residual factor for significantly intense reflections | 0.0366 |
| Weighted residual factors for significantly intense reflections | 0.0943 |
| Weighted residual factors for all reflections included in the refinement | 0.0956 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.067 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 183684 (current) | 2016-06-18 | cif/ hkl/ Adding structures of 1543472 via cif-deposit CGI script. |
1543472.cif 1543472.hkl |
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Users of the data should acknowledge the original authors of the
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