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Information card for entry 7248588
Preview
| Coordinates | 7248588.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | 1-(4-methylthiazol-2-yl)piperidine-2,6-dione |
|---|---|
| Formula | C9 H10 N2 O2 S |
| Calculated formula | C9 H10 N2 O2 S |
| SMILES | s1c(nc(C)c1)N1C(=O)CCCC1=O |
| Title of publication | A simple and efficient synthesis of a series of N-(thiazol-2-yl)piperidine-2,6-dione compounds and their interesting NLO properties |
| Authors of publication | Shaiwale, Mayuri; Som, Narayan N.; Jha, Prafulla K.; Ballabh, Amar |
| Journal of publication | CrystEngComm |
| Year of publication | 2024 |
| Journal volume | 26 |
| Journal issue | 23 |
| Pages of publication | 3069 - 3076 |
| a | 10.4402 ± 0.0013 Å |
| b | 9.0667 ± 0.0012 Å |
| c | 10.6841 ± 0.0015 Å |
| α | 90° |
| β | 103.828 ± 0.012° |
| γ | 90° |
| Cell volume | 982 ± 0.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 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 | 0.0523 |
| Residual factor for significantly intense reflections | 0.0402 |
| Weighted residual factors for significantly intense reflections | 0.1016 |
| Weighted residual factors for all reflections included in the refinement | 0.1105 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 292983 (current) | 2024-07-05 | cif/ Updating files of 7248586, 7248587, 7248588, 7248589, 7248590 Original log message: Adding full bibliography for 7248586--7248590.cif. |
7248588.cif |
| 291742 | 2024-05-07 | cif/ Adding structures of 7248586, 7248587, 7248588, 7248589, 7248590 via cif-deposit CGI script. |
7248588.cif |
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Users of the data should acknowledge the original authors of the
structural data.