Information card for entry 4506190

Structure parameters

• Common name: Pridopidine hydrochloride form II
• Formula: C15 H24 Cl N O2 S
• Calculated formula: C15 H24 Cl N O2 S
• SMILES: [Cl-].S(=O)(=O)(c1cc(ccc1)C1CC[NH+](CC1)CCC)C
• Title of publication: Polymorphs of Pridopidine Hydrochloride
• Authors of publication: Zimmermann, Anne; Frøstrup, Brian; Bond, Andrew D.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2012
• Journal volume: 12
• Journal issue: 6
• Pages of publication: 2961
• a: 12.2441 ± 0.0004 Å
• b: 13.4701 ± 0.0004 Å
• c: 10.2207 ± 0.0003 Å
• α: 90°
• β: 91.117 ± 0.001°
• γ: 90°
• Cell volume: 1685.37 ± 0.09 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0526
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.0989
• Weighted residual factors for all reflections included in the refinement: 0.1064
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No