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Information card for entry 7239888
Preview
| Coordinates | 7239888.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | 4-methylbenzaldehyde (cyanoacetyl)hydrazone |
|---|---|
| Chemical name | 2-cyano-N'-[(1E)-(4-methylphenyl)methylidene]acetohydrazide |
| Formula | C11 H11 N3 O |
| Calculated formula | C11 H11 N3 O |
| Title of publication | Hydrazone-aromatic interaction: the vital role in molecular self-assembly of benzaldehyde hydrazones |
| Authors of publication | Zhang, Zhenfeng; Chen, Dejun |
| Journal of publication | CrystEngComm |
| Year of publication | 2020 |
| a | 4.5912 ± 0.0004 Å |
| b | 10.6146 ± 0.0007 Å |
| c | 21.6437 ± 0.0017 Å |
| α | 90° |
| β | 94.49 ± 0.008° |
| γ | 90° |
| Cell volume | 1051.54 ± 0.14 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/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0665 |
| Residual factor for significantly intense reflections | 0.054 |
| Weighted residual factors for significantly intense reflections | 0.1377 |
| Weighted residual factors for all reflections included in the refinement | 0.1463 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.083 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 247930 (current) | 2020-02-07 | cif/ Adding structures of 7239888, 7239889, 7239890 via cif-deposit CGI script. |
7239888.cif |
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