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Information card for entry 1548669
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| Coordinates | 1548669.cif |
|---|---|
| Structure factors | 1548669.hkl |
| Original IUCr paper | HTML |
| Chemical name | Ethyl (<i>Z</i>)-2-[2-(4-methylphenyl)hydrazin-1-ylidene]-3-oxo-3-(thiazol-2-ylamino)propanoate |
|---|---|
| Formula | C15 H16 N4 O3 S |
| Calculated formula | C15 H16 N4 O3 S |
| SMILES | c1(nccs1)NC(=O)C(=N\Nc1ccc(cc1)C)/C(=O)OCC |
| Title of publication | Ethyl (<i>Z</i>)-2-[2-(4-methylphenyl)hydrazin-1-ylidene]-3-oxo-3-(thiazol-2-ylamino)propanoate |
| Authors of publication | El-Hiti, Gamal A.; Mohamed, Hanan A.; Abdel-Wahab, Bakr F.; Alotaibi, Mohammad Hayal; Hegazy, Amany S.; Kariuki, Benson M. |
| Journal of publication | IUCrData |
| Year of publication | 2018 |
| Journal volume | 3 |
| Journal issue | 1 |
| Pages of publication | x171852 |
| a | 5.6487 ± 0.0003 Å |
| b | 16.7479 ± 0.0011 Å |
| c | 16.9726 ± 0.0014 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1605.67 ± 0.19 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0697 |
| Residual factor for significantly intense reflections | 0.0477 |
| Weighted residual factors for significantly intense reflections | 0.1135 |
| Weighted residual factors for all reflections included in the refinement | 0.1297 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.072 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 205177 (current) | 2018-01-13 | cif/ hkl/ Adding structures of 1548669 via cif-deposit CGI script. |
1548669.cif 1548669.hkl |
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Users of the data should acknowledge the original authors of the
structural data.