Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2240878
Preview
| Coordinates | 2240878.cif |
|---|---|
| Structure factors | 2240878.hkl |
| Original IUCr paper | HTML |
| Chemical name | 4-({5-[(<i>E</i>)-(3,5-Difluorophenyl)diazenyl]-2-hydroxybenzylidene}amino)-2,2,6,6-tetramethylpiperidin-1-oxyl |
|---|---|
| Formula | C22 H25 F2 N4 O2 |
| Calculated formula | C22 H25 F2 N4 O2 |
| SMILES | Oc1ccc(N=Nc2cc(F)cc(F)c2)cc1/C=N/C1CC([N](=O)C(C1)(C)C)(C)C |
| Title of publication | Crystal structure of 4-({5-[(<i>E</i>)-(3,5-difluorophenyl)diazenyl]-2-hydroxybenzylidene}amino)-2,2,6,6-tetramethylpiperidin-1-oxyl |
| Authors of publication | Tatsız, Ramazan; Kasumov, Veli T.; Tunc, Tuncay; Hökelek, Tuncer |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 7 |
| Pages of publication | 864 - 866 |
| a | 13.5115 ± 0.0003 Å |
| b | 23.1062 ± 0.0005 Å |
| c | 13.8677 ± 0.0003 Å |
| α | 90° |
| β | 100.639 ± 0.003° |
| γ | 90° |
| Cell volume | 4255.06 ± 0.17 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.1737 |
| Residual factor for significantly intense reflections | 0.0733 |
| Weighted residual factors for significantly intense reflections | 0.1247 |
| Weighted residual factors for all reflections included in the refinement | 0.1631 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.078 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181908 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/08 |
2240878.cif 2240878.hkl |
| 176428 | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
2240878.cif 2240878.hkl |
| 139737 | 2015-06-28 | cif/ hkl/ Adding structures of 2240878 via cif-deposit CGI script. |
2240878.cif 2240878.hkl |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.