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Information card for entry 7248590
Preview
| Coordinates | 7248590.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | 1-(benzo[d]thiazol-2-yl)piperidine-2,6-dione |
|---|---|
| Formula | C12 H10 N2 O2 S |
| Calculated formula | C12 H10 N2 O2 S |
| SMILES | s1c(N2C(=O)CCCC2=O)nc2c1cccc2 |
| 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 | 10.7717 ± 0.0009 Å |
| b | 9.2453 ± 0.0009 Å |
| c | 23.0901 ± 0.0014 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2299.5 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.0853 |
| Residual factor for significantly intense reflections | 0.0675 |
| Weighted residual factors for significantly intense reflections | 0.2051 |
| Weighted residual factors for all reflections included in the refinement | 0.2256 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.905 |
| 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. |
7248590.cif |
| 291742 | 2024-05-07 | cif/ Adding structures of 7248586, 7248587, 7248588, 7248589, 7248590 via cif-deposit CGI script. |
7248590.cif |
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Users of the data should acknowledge the original authors of the
structural data.