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Information card for entry 2241927
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| Coordinates | 2241927.cif |
|---|---|
| Structure factors | 2241927.hkl |
| Original IUCr paper | HTML |
| Chemical name | 1,3-Bis[(<i>E</i>)-4-methoxybenzylideneamino]propan-2-ol |
|---|---|
| Formula | C19 H22 N2 O3 |
| Calculated formula | C19 H22 N2 O3 |
| SMILES | N(=C\c1ccc(OC)cc1)/CC(O)C/N=C/c1ccc(OC)cc1 |
| Title of publication | Crystal structure of 1,3-bis[(<i>E</i>)-4-methoxybenzylideneamino]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 | 2016 |
| Journal volume | 72 |
| Journal issue | 12 |
| Pages of publication | 1731 - 1733 |
| a | 7.9081 ± 0.0003 Å |
| b | 5.8434 ± 0.0003 Å |
| c | 37.4435 ± 0.0016 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1730.27 ± 0.13 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 33 |
| Hermann-Mauguin space group symbol | P n a 21 |
| Hall space group symbol | P 2c -2n |
| Residual factor for all reflections | 0.0505 |
| Residual factor for significantly intense reflections | 0.0462 |
| Weighted residual factors for significantly intense reflections | 0.1198 |
| Weighted residual factors for all reflections included in the refinement | 0.1231 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.01 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 187835 (current) | 2016-11-05 | cif/ hkl/ Adding structures of 2241927 via cif-deposit CGI script. |
2241927.cif 2241927.hkl |
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Users of the data should acknowledge the original authors of the
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