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Information card for entry 2020919
Preview
| Coordinates | 2020919.cif |
|---|---|
| Structure factors | 2020919.hkl |
| Original IUCr paper | HTML |
| Chemical name | (2<i>E</i>)-1-(4-hydroxypiperidin-1-yl)-3-phenylprop-2-en-1-one |
|---|---|
| Formula | C14 H17 N O2 |
| Calculated formula | C14 H17 N O2 |
| SMILES | OC1CCN(CC1)C(=O)/C=C/c1ccccc1 |
| Title of publication | Crystallographic studies of cinnamamide derivatives as a means of searching for anticonvulsant activity |
| Authors of publication | Żesławska, Ewa; Nitek, Wojciech; Marona, Henryk; Gunia-Krzyżak, Agnieszka |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2017 |
| Journal volume | 73 |
| Journal issue | 11 |
| Pages of publication | 953 - 959 |
| a | 14.294 ± 0.0007 Å |
| b | 11.448 ± 0.0006 Å |
| c | 16.112 ± 0.0009 Å |
| α | 90° |
| β | 110.158 ± 0.003° |
| γ | 90° |
| Cell volume | 2475 ± 0.2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0833 |
| Residual factor for significantly intense reflections | 0.0514 |
| Weighted residual factors for significantly intense reflections | 0.1122 |
| Weighted residual factors for all reflections included in the refinement | 0.1282 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 205313 (current) | 2018-01-17 | cif/ hkl/ Adding structures of 2020917, 2020918, 2020919 via cif-deposit CGI script. |
2020919.cif 2020919.hkl |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.