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Information card for entry 7226226
Preview
| Coordinates | 7226226.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | anhydrous sibutramine hydrochloride enantiomer |
|---|---|
| Formula | C17 H27 Cl2 N |
| Calculated formula | C17 H27 Cl2 N |
| SMILES | [Cl-].Clc1ccc(C2(CCC2)[C@@H]([NH+](C)C)CC(C)C)cc1 |
| Title of publication | Racemic compound and conglomerate of anhydrous sibutramine hydrochloride: a rare case of relative stability |
| Authors of publication | Rosa, F.; Négrier, P.; Espeau, P. |
| Journal of publication | CrystEngComm |
| Year of publication | 2016 |
| Journal volume | 18 |
| Journal issue | 36 |
| Pages of publication | 6903 |
| a | 12.0282 ± 0.0019 Å |
| b | 9.0364 ± 0.0015 Å |
| c | 8.1578 ± 0.0011 Å |
| α | 90° |
| β | 90.601 ± 0.009° |
| γ | 90° |
| Cell volume | 886.6 ± 0.2 Å3 |
| Cell temperature | 295 ± 1 K |
| Ambient diffraction temperature | 295 ± 1 K |
| Number of distinct elements | 4 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Diffraction radiation wavelength | 1.54056 Å |
| Diffraction radiation type | CuKα~1~ |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 187043 (current) | 2016-10-08 | cif/ Updating files of 7226226 Original log message: Adding full bibliography for 7226226.cif. |
7226226.cif |
| 185759 | 2016-08-12 | cif/ Adding structures of 7226226 via cif-deposit CGI script. |
7226226.cif |
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