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Information card for entry 2240625
Preview
| Coordinates | 2240625.cif |
|---|---|
| Structure factors | 2240625.hkl |
| Original IUCr paper | HTML |
| Chemical name | 4-Bromo-2-[(<i>E</i>)-<i>N</i>-(2,2,6,6-tetramethylpiperidin-4-yl)carboximidoyl]phenol dihydrate |
|---|---|
| Formula | C16 H27 Br N2 O3 |
| Calculated formula | C16 H27 Br N2 O3 |
| Title of publication | Crystal structure of 4-bromo-2-[(<i>E</i>)-<i>N</i>-(2,2,6,6-tetramethylpiperidin-4-yl)carboximidoyl]phenol dihydrate |
| Authors of publication | Mague, Joel T.; Mohamed, Shaaban K.; Akkurt, Mehmet; Abdelhamid, Antar A.; Albayati, Mustafa R. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 5 |
| Pages of publication | o349 - o350 |
| a | 39.6126 ± 0.0007 Å |
| b | 6.0497 ± 0.0001 Å |
| c | 14.8673 ± 0.0003 Å |
| α | 90° |
| β | 98.889 ± 0.001° |
| γ | 90° |
| Cell volume | 3520.07 ± 0.11 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0346 |
| Residual factor for significantly intense reflections | 0.0309 |
| Weighted residual factors for significantly intense reflections | 0.0744 |
| Weighted residual factors for all reflections included in the refinement | 0.0769 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.095 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181906 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/06 |
2240625.cif 2240625.hkl |
| 136416 | 2015-05-13 | cif/ hkl/ Adding structures of 2240625 via cif-deposit CGI script. |
2240625.cif 2240625.hkl |
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Users of the data should acknowledge the original authors of the
structural data.