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Information card for entry 2242816
Preview
| Coordinates | 2242816.cif |
|---|---|
| Structure factors | 2242816.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | 2-[(2<i>E</i>)-2-Methyl-3-phenylprop-2-en-1-ylidene]-<i>N</i>-phenylhydrazinecarboxamide |
|---|---|
| Formula | C17 H17 N3 O |
| Calculated formula | C17 H17 N3 O |
| SMILES | c1ccccc1/C=C(C)/C=N/NC(=O)Nc1ccccc1 |
| Title of publication | Crystal structure of 2-[(2<i>E</i>)-2-methyl-3-phenylprop-2-en-1-ylidene]-<i>N</i>-phenylhydrazinecarboxamide |
| Authors of publication | Saritha, S. R.; Anitha, L.; Layana, S. R.; Sithambaresan, M.; Sudarsanakumar, M. R. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2019 |
| Journal volume | 75 |
| Journal issue | 2 |
| Pages of publication | 163 - 166 |
| a | 10.214 ± 0.0006 Å |
| b | 10.5133 ± 0.0008 Å |
| c | 15.3297 ± 0.001 Å |
| α | 106.652 ± 0.003° |
| β | 99.111 ± 0.003° |
| γ | 97.416 ± 0.004° |
| Cell volume | 1530.51 ± 0.18 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1026 |
| Residual factor for significantly intense reflections | 0.051 |
| Weighted residual factors for significantly intense reflections | 0.137 |
| Weighted residual factors for all reflections included in the refinement | 0.1753 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.948 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301807 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/24 Each referenced PubChem compound corresponds to the full crystal structure. |
2242816.cif 2242816.hkl |
| 213114 | 2019-01-16 | cif/ hkl/ Adding structures of 2242816 via cif-deposit CGI script. |
2242816.cif 2242816.hkl |
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Users of the data should acknowledge the original authors of the
structural data.