Information card for entry 7223877

Structure parameters

• Common name: aripiprazole 1-propanol solvate; 7-(4-(4-(2,3-dichlorophenyl)-1-piperazinyl)butoxy)-3,4-dihydrocarbostyril 1-propanol solvate
• Chemical name: 7-(4-(4-(2,3-dichlorophenyl)-1-piperazinyl)butoxy)-3,4-dihydroquinolin-2(1H)-one 1-propanol solvate
• Formula: C24.5 H30.5 Cl2 N3 O2.5
• Calculated formula: C24.5 H30.5 Cl2 N3 O2.5
• Title of publication: An unprecedented case of dodecamorphism: the twelfth polymorph of aripiprazole formed by seeding with its active metabolite
• Authors of publication: Zeidan, T. A.; Trotta, J. T.; Tilak, P. A.; Oliveira, M. A.; Chiarella, R. A.; Foxman, B. M.; Almarsson, Ö.; Hickey, M. B.
• Journal of publication: CrystEngComm
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 9
• Pages of publication: 1486
• a: 7.7282 ± 0.0006 Å
• b: 10.7005 ± 0.0008 Å
• c: 15.4954 ± 0.0012 Å
• α: 83.863 ± 0.001°
• β: 78.191 ± 0.001°
• γ: 73.576 ± 0.001°
• Cell volume: 1201.46 ± 0.16 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0611
• Residual factor for significantly intense reflections: 0.0411
• Weighted residual factors for significantly intense reflections: 0.0972
• Weighted residual factors for all reflections included in the refinement: 0.1099
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No