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Information card for entry 2200040
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| Coordinates | 2200040.cif |
|---|---|
| Structure factors | 2200040.hkl |
| Original IUCr paper | HTML |
| Chemical name | Thiazolidine-2,4-dione |
|---|---|
| Formula | C3 H3 N O2 S |
| Calculated formula | C3 H3 N O2 S |
| SMILES | O=C1SCC(=O)N1 |
| Title of publication | Redetermination of 1,3-thiazolidine-2,4-dione |
| Authors of publication | Lynch, Daniel E.; McClenaghan, Ian; Light, Mark E. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2001 |
| Journal volume | 57 |
| Journal issue | 1 |
| Pages of publication | o79 - o80 |
| a | 7.2926 ± 0.0002 Å |
| b | 9.3642 ± 0.0003 Å |
| c | 13.1208 ± 0.0005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 896.01 ± 0.05 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.035 |
| Residual factor for significantly intense reflections | 0.031 |
| Weighted residual factors for all reflections included in the refinement | 0.083 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.09 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180920 (current) | 2016-04-02 | hkl/2/20/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/20/00. |
2200040.cif 2200040.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2200040.cif 2200040.hkl |
| 26025 | 2011-09-16 | hkl/2/ Adding assigned Fobs files for the 1980-2010 IUCr data. |
2200040.cif 2200040.hkl |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
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.
Users of the data should acknowledge the original authors of the
structural data.