Information card for entry 2242883

Structure parameters

• Common name: Memantine‒carboxyborane
• Chemical name: 3,5-Dimethyladamantanylamine‒boranecarboxylic acid
• Formula: C13 H24 B N O2
• Calculated formula: C13 H24 B N O2
• SMILES: OC(=O)[BH2][NH2]C12C[C@]3(C[C@@](C2)(CC(C1)C3)C)C
• Title of publication: Crystal structure of memantine‒carboxyborane
• Authors of publication: Ayudhya, Theppawut I.; Rheingold, Arnold L.; Dingra, Nin N.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2019
• Journal volume: 75
• Journal issue: 5
• Pages of publication: 543 - 546
• a: 34.229 ± 0.004 Å
• b: 11.1051 ± 0.0012 Å
• c: 9.2922 ± 0.001 Å
• α: 90°
• β: 96.526 ± 0.005°
• γ: 90°
• Cell volume: 3509.2 ± 0.7 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0817
• Residual factor for significantly intense reflections: 0.0619
• Weighted residual factors for significantly intense reflections: 0.1424
• Weighted residual factors for all reflections included in the refinement: 0.1535
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes