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Information card for entry 2022766
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| Coordinates | 2022766.cif |
|---|---|
| Structure factors | 2022766.hkl |
| Original IUCr paper | HTML |
| Chemical name | 4-[(4-Methylbenzyl)oxy]-<i>N</i>'-(4-nitrobenzylidene)benzohydrazide |
|---|---|
| Formula | C22 H19 N3 O4 |
| Calculated formula | C22 H19 N3 O4 |
| SMILES | O(Cc1ccc(C)cc1)c1ccc(cc1)C(=O)N/N=C/c1ccc(N(=O)=O)cc1 |
| Title of publication | Crystal structure of 4-[(4-methyl-benz-yl)-oxy]-<i>N</i>'-(4-nitro-benzyl-idene)benzohydrazide: a new hydrazone derivative. |
| Authors of publication | Banna, Md Hasan Al; Sheikh, Md Chanmiya; Miyatake, Ryuta; Howlader, Md Belayet Hossain; Zangrando, Ennio |
| Journal of publication | Acta crystallographica. Section E, Crystallographic communications |
| Year of publication | 2023 |
| Journal volume | 79 |
| Journal issue | Pt 6 |
| Pages of publication | 531 - 533 |
| a | 8.9485 ± 0.0008 Å |
| b | 5.0612 ± 0.0005 Å |
| c | 20.949 ± 0.002 Å |
| α | 90° |
| β | 96.585 ± 0.007° |
| γ | 90° |
| Cell volume | 942.52 ± 0.16 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0867 |
| Residual factor for significantly intense reflections | 0.0528 |
| Weighted residual factors for significantly intense reflections | 0.1136 |
| Weighted residual factors for all reflections included in the refinement | 0.1255 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 285061 (current) | 2023-07-06 | cif/ Updating files of 2022766 Original log message: Adding full bibliography for 2022766.cif. |
2022766.cif 2022766.hkl |
| 283743 | 2023-05-13 | cif/ hkl/ Adding structures of 2022766 via cif-deposit CGI script. |
2022766.cif 2022766.hkl |
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Users of the data should acknowledge the original authors of the
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