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Information card for entry 2020106
Preview
| Coordinates | 2020106.cif |
|---|---|
| Structure factors | 2020106.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | <i>N</i>-(2,2,6,6-Tetramethylpiperidin-4-yl)acrylamide monohydrate |
|---|---|
| Formula | C12 H24 N2 O2 |
| Calculated formula | C12 H24 N2 O2 |
| SMILES | N1C(C)(C)CC(CC1(C)C)NC(=O)C=C.O |
| Title of publication | Structure and packing of aminoxyl and piperidinyl acrylamide monomers |
| Authors of publication | Goswami, Shailesh K.; Hanton, Lyall R.; McAdam, C. John; Moratti, Stephen C.; Simpson, Jim |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 10 |
| a | 11.9763 ± 0.0003 Å |
| b | 10.3132 ± 0.0002 Å |
| c | 11.855 ± 0.0003 Å |
| α | 90° |
| β | 114.527 ± 0.003° |
| γ | 90° |
| Cell volume | 1332.13 ± 0.06 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 | 0.0727 |
| Residual factor for significantly intense reflections | 0.0567 |
| Weighted residual factors for significantly intense reflections | 0.13 |
| Weighted residual factors for all reflections included in the refinement | 0.1372 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301801 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/02 Each referenced PubChem compound corresponds to the full crystal structure. |
2020106.cif 2020106.hkl |
| 181871 | 2016-04-06 | hkl/2/02/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/02/01 |
2020106.cif 2020106.hkl |
| 158191 | 2015-09-21 | cif/ hkl/ Adding structures of 2020105, 2020106 via cif-deposit CGI script. |
2020106.cif 2020106.hkl |
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Users of the data should acknowledge the original authors of the
structural data.