Information card for entry 2207964

Structure parameters

• Common name: Risperidone chloride 2.5-hydrate
• Chemical name: 4-(6-fluoro-1,2-benzisoxazol-3-yl)-1-[2-(2-methyl-4-oxo-3,4,6,7,8,9- hexahydro-2H-pyrido[1,2-a]pyrimidin-3-yl)ethyl]piperidinium chloride 2.5-hydrate
• Formula: C23 H33 Cl F N4 O4.5
• Calculated formula: C23 H33 Cl F N4 O4.5
• Title of publication: Risperidone chloride 2.5-hydrate: a new crystalline form
• Authors of publication: Dan-Hua Wang; Yuan-Jiang Pan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 2
• Pages of publication: o768 - o770
• a: 10.027 ± 0.003 Å
• b: 18.431 ± 0.004 Å
• c: 13.394 ± 0.004 Å
• α: 90°
• β: 100.613 ± 0.011°
• γ: 90°
• Cell volume: 2433 ± 1.2 ų
• Cell temperature: 298 ± 1 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
• Residual factor for significantly intense reflections: 0.0411
• Weighted residual factors for all reflections included in the refinement: 0.1015
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes