Information card for entry 4511233

Structure parameters

• Common name: bupropion hydroiodide
• Chemical name: 2-(ter-butylamino)-1-(3-chlorophenyl)propan-1-one Hydroiodide
• Formula: C13 H19 Cl I N O
• Calculated formula: C13 H19 Cl I N O
• Title of publication: Persistency of a Two-Fold Embrace in Crystalline Phases of Bupropion Hydrohalides: A Thoroughab InitioX-ray Powder Diffraction Study
• Authors of publication: Vladiskovic, Chiara; Masciocchi, Norberto
• Journal of publication: Crystal Growth & Design
• Year of publication: 2014
• Journal volume: 14
• Journal issue: 7
• Pages of publication: 3603
• a: 8.2635 ± 0.0005 Å
• b: 9.7799 ± 0.0003 Å
• c: 20.2113 ± 0.0006 Å
• α: 90°
• β: 99.98 ± 0.03°
• γ: 90°
• Cell volume: 1608.68 ± 0.19 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Goodness-of-fit parameter for all reflections: 16.89
• Method of determination: powder diffraction
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No