Information card for entry 2242412
| Chemical name |
3-(2-chloroethyl)-<i>r</i>-2,<i>c</i>-6-bis(4-fluorophenyl)piperidin-4-one |
| Formula |
C19 H18 Cl F2 N O |
| Calculated formula |
C19 H18 Cl F2 N O |
| SMILES |
ClCC[C@H]1C(=O)C[C@@H](N[C@@H]1c1ccc(F)cc1)c1ccc(F)cc1.ClCC[C@@H]1C(=O)C[C@H](N[C@H]1c1ccc(F)cc1)c1ccc(F)cc1 |
| Title of publication |
Crystal structures of two new 3-(2-chloroethyl)-<i>r</i>(2),<i>c</i>(6)-diarylpiperidin-4-ones |
| Authors of publication |
Rajkumar, K.; Sivakumar, S.; Arulraj, R.; Kaur, Manpreet; Jasinski, Jerry P.; Manimekalai, A.; Thiruvalluvar, A. |
| Journal of publication |
Acta Crystallographica Section E |
| Year of publication |
2018 |
| Journal volume |
74 |
| Journal issue |
4 |
| Pages of publication |
483 - 486 |
| a |
5.5105 ± 0.0002 Å |
| b |
24.2612 ± 0.0006 Å |
| c |
12.8622 ± 0.0003 Å |
| α |
90° |
| β |
93.809 ± 0.003° |
| γ |
90° |
| Cell volume |
1715.77 ± 0.09 Å3 |
| Cell temperature |
293 ± 2 K |
| Ambient diffraction temperature |
293 ± 2 K |
| Number of distinct elements |
6 |
| 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 |
0.0559 |
| Residual factor for significantly intense reflections |
0.0464 |
| Weighted residual factors for significantly intense reflections |
0.1226 |
| Weighted residual factors for all reflections included in the refinement |
0.1314 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.039 |
| Diffraction radiation wavelength |
1.54184 Å |
| Diffraction radiation type |
CuKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
Yes |
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The link is:
https://www.crystallography.net/2242412.html
