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Information card for entry 8107517
Preview
| Coordinates | 8107517.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H17 N3 O |
|---|---|
| Calculated formula | C16 H17 N3 O |
| SMILES | c1(ccc(cc1)C(=O)N/N=C(\c1ccccc1C)C)N |
| Title of publication | The crystal structure of (Z)-4-amino-N′-(1-(o-tolyl)ethylidene)benzohydrazide, C16H17N3O |
| Authors of publication | Qiao, Ai-Li; Guo, Zheng-Feng |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2023 |
| Journal volume | 238 |
| Journal issue | 4 |
| Pages of publication | 639 - 640 |
| a | 8.2818 ± 0.0006 Å |
| b | 17.0495 ± 0.001 Å |
| c | 10.2429 ± 0.0007 Å |
| α | 90° |
| β | 98.98 ± 0.006° |
| γ | 90° |
| Cell volume | 1428.58 ± 0.17 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0817 |
| Residual factor for significantly intense reflections | 0.0629 |
| Weighted residual factors for significantly intense reflections | 0.1377 |
| Weighted residual factors for all reflections included in the refinement | 0.1461 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.117 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 286406 (current) | 2023-09-19 | cif/ Adding structures of 8107517 via cif-deposit CGI script. |
8107517.cif |
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Users of the data should acknowledge the original authors of the
structural data.