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Information card for entry 2238903
Preview
| Coordinates | 2238903.cif |
|---|---|
| Original IUCr paper | HTML |
| External links | PubChem |
| Common name | 1,2-Bis(4-benzyloxy-2-hydroxybenzylidene)hydrazine |
|---|---|
| Chemical name | 5,5'-Bis(benzyloxy)-2,2'-[hydrazinediylidenebis(methanylylidene)]diphenol |
| Formula | C28 H24 N2 O4 |
| Calculated formula | C28 H24 N2 O4 |
| SMILES | Oc1cc(ccc1/C=N/N=C/c1ccc(cc1O)OCc1ccccc1)OCc1ccccc1 |
| Title of publication | 5,5'-Bis(benzyloxy)-2,2'-[hydrazinediylidenebis(methanylylidene)]diphenol |
| Authors of publication | Sajitha, N. R.; Sithambaresan, M.; Kurup, M. R. Prathapachandra |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 12 |
| Pages of publication | o1755 |
| a | 12.4748 ± 0.0017 Å |
| b | 5.363 ± 0.0006 Å |
| c | 17.021 ± 0.002 Å |
| α | 90° |
| β | 90.699 ± 0.005° |
| γ | 90° |
| Cell volume | 1138.7 ± 0.2 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0856 |
| Residual factor for significantly intense reflections | 0.0435 |
| Weighted residual factors for significantly intense reflections | 0.1004 |
| Weighted residual factors for all reflections included in the refinement | 0.122 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.008 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301806 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/23 Each referenced PubChem compound corresponds to the full crystal structure. |
2238903.cif |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2238903.cif |
| 92288 | 2014-01-12 | cif/ Adding structures of 2238903 via cif-deposit CGI script. |
2238903.cif |
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Users of the data should acknowledge the original authors of the
structural data.