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Information card for entry 8106287
Preview
| Coordinates | 8106287.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H20 N2 O2 |
|---|---|
| Calculated formula | C18 H20 N2 O2 |
| SMILES | Cc1ccc(c(c1)/C=N/c1ccc(cc1)C(=N\OCC)\C)O |
| Title of publication | Crystal structure of 1-{4-[(2-hydroxy-5-methyl benzylidene)amino]phenyl}ethanone O-ethyl-oxime, C18H20N2O2 |
| Authors of publication | Li, Peng-Peng; Ma, Jin-Xia; Li, Qing-Lin; Zhao, Ji-Xing; Zhao, Li |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2018 |
| Journal volume | 233 |
| Journal issue | 5 |
| Pages of publication | 759 - 761 |
| a | 17.8843 ± 0.0015 Å |
| b | 7.1821 ± 0.0006 Å |
| c | 6.3086 ± 0.0006 Å |
| α | 90° |
| β | 98.487 ± 0.003° |
| γ | 90° |
| Cell volume | 801.45 ± 0.12 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296.15 K |
| Number of distinct elements | 4 |
| Space group number | 7 |
| Hermann-Mauguin space group symbol | P 1 c 1 |
| Hall space group symbol | P -2yc |
| Residual factor for all reflections | 0.076 |
| Residual factor for significantly intense reflections | 0.0533 |
| Weighted residual factors for significantly intense reflections | 0.1287 |
| Weighted residual factors for all reflections included in the refinement | 0.1411 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 279608 (current) | 2022-11-28 | cif/ Adding structures of 8106287 via cif-deposit CGI script. |
8106287.cif |
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Users of the data should acknowledge the original authors of the
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