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Information card for entry 8106903
Preview
| Coordinates | 8106903.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C14 H15 N3 O2 |
|---|---|
| Calculated formula | C14 H15 N3 O2 |
| Title of publication | Crystal structure of N′-(2-hydroxybenzylidene)-3,4-dimethyl-1H-pyrrole-2-carbohydrazide, C14H15N3O2 |
| Authors of publication | Qiao, Wen-Tao; Li, Hai-Yan; Wang, Yuan |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2016 |
| Journal volume | 231 |
| Journal issue | 2 |
| Pages of publication | 445 - 446 |
| a | 8.2642 ± 0.0004 Å |
| b | 6.0481 ± 0.0003 Å |
| c | 25.6897 ± 0.0011 Å |
| α | 90° |
| β | 95.319 ± 0.003° |
| γ | 90° |
| Cell volume | 1278.51 ± 0.1 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 | 0.121 |
| Residual factor for significantly intense reflections | 0.0493 |
| Weighted residual factors for significantly intense reflections | 0.1132 |
| Weighted residual factors for all reflections included in the refinement | 0.1398 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.003 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 281776 (current) | 2023-03-09 | cif/ Adding structures of 8106903 via cif-deposit CGI script. |
8106903.cif |
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Users of the data should acknowledge the original authors of the
structural data.