Information card for entry 7216526

Structure parameters

• Chemical name: 70:30 (±)-4'-methylmethcathinone hydrochloride hydrobromide salt solution
• Formula: C11 H16 Br0.3 Cl0.7 N O
• Calculated formula: C11 H16 Br0.3025 Cl0.6975 N O
• Title of publication: Drug solid solutions ‒ a method for tuning phase transformations
• Authors of publication: Delori, Amit; Maclure, Pauline; Bhardwaj, Rajni M.; Johnston, Andrea; Florence, Alastair J.; Sutcliffe, Oliver B.; Oswald, Iain D. H.
• Journal of publication: CrystEngComm
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 26
• Pages of publication: 5827
• a: 10.1012 ± 0.0005 Å
• b: 22.5506 ± 0.0012 Å
• c: 10.4737 ± 0.0005 Å
• α: 90°
• β: 90.441 ± 0.003°
• γ: 90°
• Cell volume: 2385.7 ± 0.2 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 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: 0.0374
• Residual factor for significantly intense reflections: 0.0321
• Weighted residual factors for all reflections: 0.0753
• Weighted residual factors for significantly intense reflections: 0.0698
• Weighted residual factors for all reflections included in the refinement: 0.0753
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0369
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No