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Information card for entry 2022807
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| Coordinates | 2022807.cif |
|---|---|
| Structure factors | 2022807.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>N</i>'-[(2-methylphenyl)methylidene]pyridine-4-carbohydrazide; benzoic acid |
|---|---|
| Formula | C20 H17 N3 O3 |
| Calculated formula | C20 H17 N3 O3 |
| Title of publication | Co-crystallization of N′-benzylidenepyridine-4-carbohydrazide and benzoic acid via autoxidation of benzaldehyde |
| Authors of publication | Setshedi, Itumeleng B.; Lemmerer, Andreas; Smith, Mark G. |
| Journal of publication | Acta Crystallographica Section E Crystallographic Communications |
| Year of publication | 2023 |
| Journal volume | 79 |
| Journal issue | 8 |
| a | 11.7044 ± 0.0017 Å |
| b | 7.8531 ± 0.001 Å |
| c | 38.253 ± 0.005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3516.1 ± 0.8 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0584 |
| Residual factor for significantly intense reflections | 0.0537 |
| Weighted residual factors for significantly intense reflections | 0.1102 |
| Weighted residual factors for all reflections included in the refinement | 0.1123 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.177 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 284812 (current) | 2023-07-05 | cif/ hkl/ Adding structures of 2022807 via cif-deposit CGI script. |
2022807.cif 2022807.hkl |
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