Information card for entry 2020111

Structure parameters

• Common name: (<i>S</i>)-Amphetamine hydrobromide
• Chemical name: (2<i>S</i>)-1-Phenylpropan-2-aminium bromide
• Formula: C9 H14 Br N
• Calculated formula: C9 H14 Br N
• SMILES: [Br-].[NH3+][C@@H](C)Cc1ccccc1
• Title of publication: The hydrochloride and hydrobromide salt forms of (S)-amphetamine
• Authors of publication: Dennany, Lynn; Kennedy, Alan R.; Walker, Brandon
• Journal of publication: Acta Crystallographica Section C Structural Chemistry
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 10
• a: 5.2366 ± 0.0004 Å
• b: 8.4264 ± 0.0005 Å
• c: 11.3895 ± 0.0008 Å
• α: 90°
• β: 94.079 ± 0.002°
• γ: 90°
• Cell volume: 501.3 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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
• Residual factor for all reflections: 0.02
• Residual factor for significantly intense reflections: 0.0197
• Weighted residual factors for significantly intense reflections: 0.0513
• Weighted residual factors for all reflections included in the refinement: 0.0515
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes