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Information card for entry 8106102
Preview
| Coordinates | 8106102.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C15 H13 N3 O3 |
|---|---|
| Calculated formula | C15 H13 N3 O3 |
| SMILES | c1(ccccc1/C=N/NC(=O)Cc1ccccc1)N(=O)=O |
| Title of publication | The crystal structure of N′-(2-nitrobenzylidene)-2-phenylacetohydrazide, C15H13N3O3 |
| Authors of publication | Li-Hua, Wang; Qing-Yun, Liu; Xi-Shi, Tai |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2018 |
| Journal volume | 233 |
| Journal issue | 2 |
| Pages of publication | 213 - 214 |
| a | 8.6321 ± 0.0017 Å |
| b | 12.12 ± 0.002 Å |
| c | 13.54 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1416.6 ± 0.5 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0519 |
| Residual factor for significantly intense reflections | 0.0453 |
| Weighted residual factors for significantly intense reflections | 0.1076 |
| Weighted residual factors for all reflections included in the refinement | 0.1141 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 279296 (current) | 2022-11-15 | cif/ Adding structures of 8106102 via cif-deposit CGI script. |
8106102.cif |
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