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Information card for entry 2311522
Preview
| Coordinates | 2311522.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | (<i>Z</i>)-<i>N</i>-(4-Methoxyphenyl)-2-(4-oxothiazolidin-2-ylidene)acetamide |
|---|---|
| Formula | C12 H12 N2 O3 S |
| Calculated formula | C12 H12 N2 O3 S |
| SMILES | S1/C(=C\C(=O)Nc2ccc(OC)cc2)NC(=O)C1 |
| Title of publication | Crystal structures of two (<i>Z</i>)-2-(4-oxo-1,3-thia-zolidin-2-yl-idene)acetamides. |
| Authors of publication | Galushchinskiy, Aleksei; Slepukhin, Pavel; Obydennov, Konstantin |
| Journal of publication | Acta crystallographica. Section E, Crystallographic communications |
| Year of publication | 2017 |
| Journal volume | 73 |
| Journal issue | Pt 12 |
| Pages of publication | 1850 - 1854 |
| a | 11.628 ± 0.011 Å |
| b | 9.057 ± 0.006 Å |
| c | 11.525 ± 0.012 Å |
| α | 90° |
| β | 101.13 ± 0.08° |
| γ | 90° |
| Cell volume | 1190.9 ± 1.9 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction temperature | 295 ± 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 | 0.0559 |
| Residual factor for significantly intense reflections | 0.0429 |
| Weighted residual factors for significantly intense reflections | 0.1023 |
| Weighted residual factors for all reflections included in the refinement | 0.1045 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.01 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 245954 (current) | 2019-12-25 | cif/ Adding structures of 2311522, 2311523 via cif-deposit CGI script. |
2311522.cif |
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Users of the data should acknowledge the original authors of the
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