Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2243033
Preview
| Coordinates | 2243033.cif |
|---|---|
| Structure factors | 2243033.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Common name | Memantinium mesylate |
|---|---|
| Chemical name | (3,5-Dimethyladamantan-1-yl)ammonium methanesulfonate |
| Formula | C13 H25 N O3 S |
| Calculated formula | C13 H25 N O3 S |
| SMILES | S(=O)(=O)([O-])C.[NH3+]C12C[C@@]3(C[C@](C1)(CC(C2)C3)C)C |
| Title of publication | (3,5-Dimethyladamantan-1-yl)ammonium methanesulfonate (memantinium mesylate): synthesis, structure and solid-state properties |
| Authors of publication | Tuksar, Mihaela; Rubčić, Mirta; Meštrović, Ernest |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2019 |
| Journal volume | 75 |
| Journal issue | 8 |
| Pages of publication | 1274 - 1279 |
| a | 11.7761 ± 0.0002 Å |
| b | 11.8731 ± 0.0002 Å |
| c | 18.2788 ± 0.0003 Å |
| α | 92.501 ± 0.002° |
| β | 94.696 ± 0.002° |
| γ | 116.609 ± 0.002° |
| Cell volume | 2268.09 ± 0.08 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction temperature | 295 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.051 |
| Residual factor for significantly intense reflections | 0.0469 |
| Weighted residual factors for significantly intense reflections | 0.1279 |
| Weighted residual factors for all reflections included in the refinement | 0.133 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.055 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301807 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/24 Each referenced PubChem compound corresponds to the full crystal structure. |
2243033.cif 2243033.hkl |
| 217321 | 2019-07-31 | cif/ hkl/ Adding structures of 2243033 via cif-deposit CGI script. |
2243033.cif 2243033.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.