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Information card for entry 2242252
Preview
| Coordinates | 2242252.cif |
|---|---|
| Structure factors | 2242252.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | 1,3-Bis[(<i>E</i>)-benzylideneamino)propan-2-ol |
|---|---|
| Formula | C17 H18 N2 O |
| Calculated formula | C17 H18 N2 O |
| Title of publication | Crystal structure of 1,3-bis[(<i>E</i>)-benzylideneamino]propan-2-ol |
| Authors of publication | Rivera, Augusto; Miranda-Carvajal, Ingrid; Ríos-Motta, Jaime; Bolte, Michael |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2017 |
| Journal volume | 73 |
| Journal issue | 4 |
| Pages of publication | 627 - 629 |
| a | 16.4313 ± 0.0007 Å |
| b | 7.1909 ± 0.0003 Å |
| c | 24.7345 ± 0.0011 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2922.5 ± 0.2 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 | 0.0582 |
| Residual factor for significantly intense reflections | 0.0464 |
| Weighted residual factors for significantly intense reflections | 0.1049 |
| Weighted residual factors for all reflections included in the refinement | 0.1106 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.103 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301807 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/24 Each referenced PubChem compound corresponds to the full crystal structure. |
2242252.cif 2242252.hkl |
| 199212 | 2017-07-25 | cif/ hkl/ Adding structures of 2242252 via cif-deposit CGI script. |
2242252.cif 2242252.hkl |
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Users of the data should acknowledge the original authors of the
structural data.