Information card for entry 4519492
| Chemical name |
1-{3-[3-(4-fluorophenyl)propoxy]propyl}piperidin-1-ium 1-{3-[3-(4-chlorophenyl)propoxy]propyl}piperidin-1-ium 0.75:0.25 chloride |
| Formula |
C17 H27 Cl1.24 F0.76 N O |
| Calculated formula |
C17 H27 Cl1.245 F0.755 N O |
| Title of publication |
Exploring Polymorphism: Hydrochloride Salts of Pitolisant and Analogues |
| Authors of publication |
Patel, Jessica; Leduc, Zachary; Numez Avila, Aaron Gabriel; Glover, Joseph A.; Wu, Kelin; Zhang, Yuxing; Zhang, Jing; Zhai, Xiaoting; Jing, Huize; Chen, Alex M.; Chartrand, Daniel; Maris, Thierry; Day, Graeme M.; Wuest, James D. |
| Journal of publication |
Crystal Growth & Design |
| Year of publication |
2024 |
| Journal volume |
24 |
| Pages of publication |
1268 - 1283 |
| a |
16.6909 ± 0.0009 Å |
| b |
8.0957 ± 0.0004 Å |
| c |
14.1643 ± 0.0007 Å |
| α |
90° |
| β |
110.726 ± 0.003° |
| γ |
90° |
| Cell volume |
1790.08 ± 0.16 Å3 |
| Cell temperature |
150 K |
| Ambient diffraction temperature |
150 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 |
0.1268 |
| Residual factor for significantly intense reflections |
0.0728 |
| Weighted residual factors for significantly intense reflections |
0.173 |
| Weighted residual factors for all reflections included in the refinement |
0.2033 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.04 |
| Diffraction radiation probe |
x-ray |
| Diffraction radiation wavelength |
1.34139 Å |
| Diffraction radiation type |
GaKα |
| Has coordinates |
Yes |
| Has disorder |
Yes |
| Has Fobs |
Yes |
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The link is:
https://www.crystallography.net/4519492.html
