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Information card for entry 8106434
Preview
| Coordinates | 8106434.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C13 H14 N2 O6 S2 |
|---|---|
| Calculated formula | C13 H14 N2 O6 S2 |
| SMILES | S(=O)(=O)(NC(=O)N1C(=O)SCC1)Cc1c(cccc1)C(=O)OC |
| Title of publication | Crystal structure of 2-[(2-oxo-thiazolidine-3-carbonyl)sulfamoyl]-methy-benzoic acid methyl ester, C13H14N2O6S2 |
| Authors of publication | Chen, Qing-Wu; Shen, De-Long |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2017 |
| Journal volume | 232 |
| Journal issue | 1 |
| Pages of publication | 67 - 68 |
| a | 28.1174 ± 0.001 Å |
| b | 9.8677 ± 0.0004 Å |
| c | 11.2738 ± 0.0004 Å |
| α | 90° |
| β | 98.4457 ± 0.0011° |
| γ | 90° |
| Cell volume | 3094 ± 0.2 Å3 |
| Cell temperature | 296 ± 1 K |
| Ambient diffraction temperature | 296 ± 1 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0682 |
| Residual factor for significantly intense reflections | 0.0382 |
| Weighted residual factors for significantly intense reflections | 0.0875 |
| Weighted residual factors for all reflections included in the refinement | 0.1141 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.002 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 280231 (current) | 2023-01-06 | cif/ Adding structures of 8106434 via cif-deposit CGI script. |
8106434.cif |
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Users of the data should acknowledge the original authors of the
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