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Information card for entry 8107227
Preview
| Coordinates | 8107227.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C15 H15 N3 O4 |
|---|---|
| Calculated formula | C15 H15 N3 O4 |
| SMILES | c1(ccc(cc1)N(=O)=O)C(=O)N/N=C/c1ccccc1.CO |
| Title of publication | Crystal structure of (E)-N′-benzylidene-4-nitrobenzohydrazide – methanol (1/1), C15H15N3O4 |
| Authors of publication | Deng, Xin; Zhang, Zhijian |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2022 |
| Journal volume | 237 |
| Journal issue | 5 |
| Pages of publication | 825 - 827 |
| a | 13.5787 ± 0.0012 Å |
| b | 6.5393 ± 0.0005 Å |
| c | 16.3645 ± 0.0014 Å |
| α | 90° |
| β | 94.598 ± 0.008° |
| γ | 90° |
| Cell volume | 1448.4 ± 0.2 Å3 |
| Cell temperature | 149.99 ± 0.1 K |
| Ambient diffraction temperature | 149.99 ± 0.1 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 | 0.0604 |
| Residual factor for significantly intense reflections | 0.0465 |
| Weighted residual factors for significantly intense reflections | 0.1037 |
| Weighted residual factors for all reflections included in the refinement | 0.1106 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.073 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 283920 (current) | 2023-05-22 | cif/ Adding structures of 8107227 via cif-deposit CGI script. |
8107227.cif |
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Users of the data should acknowledge the original authors of the
structural data.