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Information card for entry 1550028
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| Coordinates | 1550028.cif |
|---|---|
| Structure factors | 1550028.hkl |
| Original IUCr paper | HTML |
| Chemical name | 5-Methyl-1-(4-methylphenyl)-<i>N</i>'-[1-(thiophen-2-yl)ethylidene]-1<i>H</i>-1,2,3-triazole-4-carbohydrazide |
|---|---|
| Formula | C17 H17 N5 O S |
| Calculated formula | C17 H17 N5 O S |
| SMILES | c1ccc(C(=N\NC(=O)c2c(C)n(c3ccc(cc3)C)nn2)\C)s1 |
| Title of publication | 5-Methyl-1-(4-methylphenyl)-N′-[1-(thiophen-2-yl)ethylidene]-1H-1,2,3-triazole-4-carbohydrazide |
| Authors of publication | El-Hiti, Gamal A.; Abdel-Wahab, Bakr F.; Alotaibi, Mohammad Hayal; Yousif, Emad; Hegazy, Amany S.; Kariuki, Benson M. |
| Journal of publication | IUCrData |
| Year of publication | 2018 |
| Journal volume | 3 |
| Journal issue | 10 |
| a | 9.0292 ± 0.0007 Å |
| b | 9.864 ± 0.001 Å |
| c | 10.8754 ± 0.0009 Å |
| α | 111.021 ± 0.009° |
| β | 105.103 ± 0.008° |
| γ | 96.945 ± 0.007° |
| Cell volume | 847.86 ± 0.15 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1076 |
| Residual factor for significantly intense reflections | 0.063 |
| Weighted residual factors for significantly intense reflections | 0.1441 |
| Weighted residual factors for all reflections included in the refinement | 0.1736 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 211397 (current) | 2018-10-12 | cif/ hkl/ Adding structures of 1550028 via cif-deposit CGI script. |
1550028.cif 1550028.hkl |
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Users of the data should acknowledge the original authors of the
structural data.