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Information card for entry 1543532
Preview
| Coordinates | 1543532.cif |
|---|---|
| Structure factors | 1543532.hkl |
| Original IUCr paper | HTML |
| Chemical name | (5<i>Z</i>)-5-(4-Chlorobenzylidene)-1,3-thiazolidine-2,4-dione |
|---|---|
| Formula | C10 H6 Cl N O2 S |
| Calculated formula | C10 H6 Cl N O2 S |
| SMILES | Clc1ccc(cc1)/C=C/1SC(=O)NC1=O |
| Title of publication | (5<i>Z</i>)-5-(4-Chlorobenzylidene)-1,3-thiazolidine-2,4-dione |
| Authors of publication | Mohamed, Shaaban K.; Mague, Joel T.; Akkurt, Mehmet; Younes, Sabry H. H.; Albayati, Mustafa R. |
| Journal of publication | IUCrData |
| Year of publication | 2016 |
| Journal volume | 1 |
| Journal issue | 6 |
| Pages of publication | x160988 |
| a | 3.9098 ± 0.0001 Å |
| b | 40.7555 ± 0.0015 Å |
| c | 6.0917 ± 0.0002 Å |
| α | 90° |
| β | 93.748 ± 0.001° |
| γ | 90° |
| Cell volume | 968.61 ± 0.05 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0354 |
| Residual factor for significantly intense reflections | 0.0342 |
| Weighted residual factors for significantly intense reflections | 0.0873 |
| Weighted residual factors for all reflections included in the refinement | 0.0882 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.142 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 183949 (current) | 2016-06-26 | cif/ hkl/ Adding structures of 1543532 via cif-deposit CGI script. |
1543532.cif 1543532.hkl |
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Users of the data should acknowledge the original authors of the
structural data.