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Information card for entry 8106029
Preview
| Coordinates | 8106029.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C19 H23 N3 O2 |
|---|---|
| Calculated formula | C19 H23 N3 O2 |
| SMILES | Oc1cc(N(CC)CC)ccc1/C=N/c1ccc(cc1)/C(=N/O)C |
| Title of publication | Crystal structure of (E)-1-(4-(((E)-4-(diethylamino)-2-hydroxybenzylidene)amino)phenyl)ethan-1-one oxime, C19H23N3O2 |
| Authors of publication | Li, Peng-Peng; Zhao, Li; Zhao, Ji-Xing; Zhu, Zhao-Bin |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2018 |
| Journal volume | 233 |
| Journal issue | 1 |
| Pages of publication | 13 - 15 |
| a | 17.8421 ± 0.0015 Å |
| b | 9.4778 ± 0.0009 Å |
| c | 22.116 ± 0.002 Å |
| α | 90° |
| β | 108.23 ± 0.01° |
| γ | 90° |
| Cell volume | 3552.2 ± 0.6 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.1191 |
| Residual factor for significantly intense reflections | 0.0649 |
| Weighted residual factors for significantly intense reflections | 0.1244 |
| Weighted residual factors for all reflections included in the refinement | 0.1506 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.183 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 279141 (current) | 2022-11-09 | cif/ Adding structures of 8106029 via cif-deposit CGI script. |
8106029.cif |
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Users of the data should acknowledge the original authors of the
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