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Information card for entry 7156019
Preview
| Coordinates | 7156019.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C10 H11 N O2 S3 |
|---|---|
| Calculated formula | C10 H11 N O2 S3 |
| SMILES | S(=O)(=O)(N1C(=S)SCC1)c1ccc(cc1)C |
| Title of publication | Synthesis of thiazolidine-thiones, imino-thiazolidines and oxazolidines via the base promoted cyclisation of epoxy-sulfonamides and heterocumulenes. |
| Authors of publication | Anitha, Mandala; Swamy, K. C. Kumara |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2018 |
| Journal volume | 16 |
| Journal issue | 3 |
| Pages of publication | 402 - 413 |
| a | 6.1417 ± 0.0008 Å |
| b | 9.665 ± 0.0013 Å |
| c | 20.803 ± 0.003 Å |
| α | 90° |
| β | 97.498 ± 0.002° |
| γ | 90° |
| Cell volume | 1224.3 ± 0.3 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| 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 all reflections | 0.0574 |
| Residual factor for significantly intense reflections | 0.056 |
| Weighted residual factors for significantly intense reflections | 0.1341 |
| Weighted residual factors for all reflections included in the refinement | 0.1351 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.182 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301861 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/15/ Each referenced PubChem compound corresponds to the full crystal structure. |
7156019.cif |
| 230882 | 2019-11-17 | cif/ Updating files of 7156017, 7156018, 7156019, 7156020, 7156021 Original log message: Adding full bibliography for 7156017--7156021.cif. |
7156019.cif |
| 204036 | 2017-12-07 | cif/ Adding structures of 7156017, 7156018, 7156019, 7156020, 7156021 via cif-deposit CGI script. |
7156019.cif |
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Users of the data should acknowledge the original authors of the
structural data.