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Information card for entry 1550535
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| Coordinates | 1550535.cif |
|---|---|
| Structure factors | 1550535.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | (<i>Z</i>)-3-Butyl-5-(4-nitrobenzylidene)thiazolidine-2,4-dione |
|---|---|
| Formula | C14 H14 N2 O4 S |
| Calculated formula | C14 H14 N2 O4 S |
| SMILES | S1/C(C(=O)N(C1=O)CCCC)=C\c1ccc(N(=O)=O)cc1 |
| Title of publication | (<i>Z</i>)-3-Butyl-5-(4-nitrobenzylidene)thiazolidine-2,4-dione |
| Authors of publication | Faizi, Md. Serajul Haque; Lone, Mohammad Nadeem; Dege, Necmi; Iskenderov, Turganbay; Malinkin, Sergey |
| Journal of publication | IUCrData |
| Year of publication | 2019 |
| Journal volume | 4 |
| Journal issue | 1 |
| Pages of publication | x190094 |
| a | 7.2595 ± 0.0008 Å |
| b | 27.492 ± 0.003 Å |
| c | 7.963 ± 0.0009 Å |
| α | 90° |
| β | 113.072 ± 0.008° |
| γ | 90° |
| Cell volume | 1462.1 ± 0.3 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 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 | 0.099 |
| Residual factor for significantly intense reflections | 0.0479 |
| Weighted residual factors for significantly intense reflections | 0.1218 |
| Weighted residual factors for all reflections included in the refinement | 0.1407 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.833 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 213391 (current) | 2019-01-30 | cif/ hkl/ Adding structures of 1550535 via cif-deposit CGI script. |
1550535.cif 1550535.hkl |
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Users of the data should acknowledge the original authors of the
structural data.