Information card for entry 2020110

Structure parameters

• Common name: (<i>S</i>)-Amphetamine hydrochloride
• Chemical name: (2<i>S</i>)-1-Phenylpropan-2-aminium chloride
• Formula: C9 H14 Cl N
• Calculated formula: C9 H14 Cl N
• SMILES: [Cl-].[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: 5.6396 ± 0.0004 Å
• b: 16.3917 ± 0.0011 Å
• c: 16.9602 ± 0.0012 Å
• α: 69.427 ± 0.004°
• β: 89.995 ± 0.005°
• γ: 87.286 ± 0.005°
• Cell volume: 1465.98 ± 0.18 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0638
• Residual factor for significantly intense reflections: 0.0547
• Weighted residual factors for significantly intense reflections: 0.1252
• Weighted residual factors for all reflections included in the refinement: 0.1293
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes