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Information card for entry 8106636
Preview
| Coordinates | 8106636.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C13 H19 N3 O3 |
|---|---|
| Calculated formula | C13 H19 N3 O3 |
| SMILES | N(=C\c1ccc(cc1O)N(CC)CC)/NC(=O)OC |
| Title of publication | Crystal structure of methyl (E)-2-(4-(diethylamino)-2-hydroxybenzylidene)hydrazine-1-carboxylate, C13H19N3O3 |
| Authors of publication | Lv, Lu-Ping; Lv, Wei-De; Rao, Jun-Feng; Chen, Jia-Yi |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2017 |
| Journal volume | 232 |
| Journal issue | 4 |
| Pages of publication | 667 - 668 |
| a | 11.594 ± 0.005 Å |
| b | 11.311 ± 0.005 Å |
| c | 11.688 ± 0.005 Å |
| α | 90° |
| β | 117.347 ± 0.019° |
| γ | 90° |
| Cell volume | 1361.5 ± 1 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0627 |
| Residual factor for significantly intense reflections | 0.0479 |
| Weighted residual factors for significantly intense reflections | 0.1413 |
| Weighted residual factors for all reflections included in the refinement | 0.163 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.104 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 280700 (current) | 2023-01-31 | cif/ Adding structures of 8106636 via cif-deposit CGI script. |
8106636.cif |
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Users of the data should acknowledge the original authors of the
structural data.