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Information card for entry 2240847
Preview
| Coordinates | 2240847.cif |
|---|---|
| Structure factors | 2240847.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | (<i>E</i>)-1-{[(3,5-Dimethylphenyl)imino]methyl}naphthalen-2-ol |
|---|---|
| Formula | C19 H17 N O |
| Calculated formula | C19 H17 N O |
| SMILES | Oc1c(c2ccccc2cc1)/C=N/c1cc(cc(c1)C)C |
| Title of publication | Crystal structure of (<i>E</i>)-1-{[(3,5-dimethylphenyl)imino]methyl}naphthalen-2-ol |
| Authors of publication | Abu-Dief, Ahmed M.; Abdelbaky, Mohammed S. M.; Garcia-Granda, Santiago |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 7 |
| Pages of publication | o496 - o497 |
| a | 6.2463 ± 0.0002 Å |
| b | 10.2438 ± 0.0003 Å |
| c | 23.0533 ± 0.0008 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1475.08 ± 0.08 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0484 |
| Residual factor for significantly intense reflections | 0.0406 |
| Weighted residual factors for significantly intense reflections | 0.1122 |
| Weighted residual factors for all reflections included in the refinement | 0.1206 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.089 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| 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. |
2240847.cif 2240847.hkl |
| 181908 | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/08 |
2240847.cif 2240847.hkl |
| 139441 | 2015-06-20 | cif/ hkl/ Adding structures of 2240847 via cif-deposit CGI script. |
2240847.cif 2240847.hkl |
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Users of the data should acknowledge the original authors of the
structural data.