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Information card for entry 2244223
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| Coordinates | 2244223.cif |
|---|---|
| Structure factors | 2244223.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>N</i>,<i>N</i>'-Diphenyl-2-[1-(propylamino)ethylidene]propanediamide |
|---|---|
| Formula | C20 H23 N3 O2 |
| Calculated formula | C20 H23 N3 O2 |
| SMILES | CCCNC(=C(C(=O)Nc1ccccc1)C(=O)Nc1ccccc1)C |
| Title of publication | Two polymorphs of <i>N</i>,<i>N</i>'-diphenyl-2-[1-(propyl-amino)-ethyl-idene]propanedi-amide. |
| Authors of publication | Herbig, Marcus; Böhme, Uwe |
| Journal of publication | Acta crystallographica. Section E, Crystallographic communications |
| Year of publication | 2023 |
| Journal volume | 79 |
| Journal issue | Pt 4 |
| Pages of publication | 308 - 312 |
| a | 8.3881 ± 0.0004 Å |
| b | 24.3653 ± 0.0009 Å |
| c | 9.2614 ± 0.0005 Å |
| α | 90° |
| β | 107.724 ± 0.004° |
| γ | 90° |
| Cell volume | 1802.99 ± 0.15 Å3 |
| Cell temperature | 193 ± 2 K |
| Ambient diffraction temperature | 193 ± 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 | 0.0742 |
| Residual factor for significantly intense reflections | 0.0514 |
| Weighted residual factors for significantly intense reflections | 0.1119 |
| Weighted residual factors for all reflections included in the refinement | 0.1291 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.153 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 283580 (current) | 2023-05-06 | cif/ Updating files of 2244223, 2244224 Original log message: Adding full bibliography for 2244223--2244224.cif. |
2244223.cif 2244223.hkl |
| 281861 | 2023-03-14 | cif/ hkl/ Adding structures of 2244223, 2244224 via cif-deposit CGI script. |
2244223.cif 2244223.hkl |
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Users of the data should acknowledge the original authors of the
structural data.