Information card for entry 2243033

Structure parameters

• 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 ų
• 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