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Information card for entry 2242175
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| Coordinates | 2242175.cif |
|---|---|
| Structure factors | 2242175.hkl |
| Original IUCr paper | HTML |
| Chemical name | 1,3-Bis{(<i>E</i>)-[4-(dimethylamino)benzylidene]amino}propan-2-ol |
|---|---|
| Formula | C21 H28 N4 O |
| Calculated formula | C21 H28 N4 O |
| SMILES | OC(C/N=C/c1ccc(N(C)C)cc1)C/N=C/c1ccc(N(C)C)cc1 |
| Title of publication | 1,3-Bis{(<i>E</i>)-[4-(dimethylamino)benzylidene]amino}propan-2-ol: chain structure formation <i>via</i> an O—H···N hydrogen bond |
| 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 | 6 |
| Pages of publication | 813 - 816 |
| a | 9.1456 ± 0.001 Å |
| b | 10.586 ± 0.0008 Å |
| c | 19.974 ± 0.002 Å |
| α | 90° |
| β | 97.11 ± 0.009° |
| γ | 90° |
| Cell volume | 1918.9 ± 0.3 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 | 0.1216 |
| Residual factor for significantly intense reflections | 0.0634 |
| Weighted residual factors for significantly intense reflections | 0.1322 |
| Weighted residual factors for all reflections included in the refinement | 0.1555 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.93 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 199145 (current) | 2017-07-25 | cif/ hkl/ Adding structures of 2242175 via cif-deposit CGI script. |
2242175.cif 2242175.hkl |
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Users of the data should acknowledge the original authors of the
structural data.