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Information card for entry 7248586
Preview
Coordinates | 7248586.cif |
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Original paper (by DOI) | HTML |
Formula | C8 H8 N2 O2 S |
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Calculated formula | C8 H8 N2 O2 S |
SMILES | s1c(N2C(=O)CCCC2=O)ncc1 |
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 | 22.635 ± 0.004 Å |
b | 18.2458 ± 0.0018 Å |
c | 8.4549 ± 0.0012 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3491.8 ± 0.9 Å3 |
Cell temperature | 293 ± 2 K |
Number of distinct elements | 5 |
Space group number | 43 |
Hermann-Mauguin space group symbol | F d d 2 |
Hall space group symbol | F 2 -2d |
Residual factor for all reflections | 0.037 |
Residual factor for significantly intense reflections | 0.0337 |
Weighted residual factors for significantly intense reflections | 0.0998 |
Weighted residual factors for all reflections included in the refinement | 0.1035 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.1032 |
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. |
7248586.cif |
291742 | 2024-05-07 | cif/ Adding structures of 7248586, 7248587, 7248588, 7248589, 7248590 via cif-deposit CGI script. |
7248586.cif |
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Users of the data should acknowledge the original authors of the
structural data.