Information card for entry 2223437

Structure parameters

• Common name: haloperidol picrate
• Chemical name: 4-(4-Chlorophenyl)-1-[3-(4-fluorobenzoyl)propyl]-4-hydroxypiperidin-1-ium 2,4,6-trinitrophenolate
• Formula: C27 H26 Cl F N4 O9
• Calculated formula: C27 H26 Cl F N4 O9
• Title of publication: 4-(4-Chlorophenyl)-1-[3-(4-fluorobenzoyl)propyl]-4-hydroxypiperidin-1-ium 2,4,6-trinitrophenolate (haloperidol picrate)
• Authors of publication: Jasinski, Jerry P.; Butcher, Ray J.; Hakim Al-Arique, Q. N. M.; Yathirajan, H. S.; Narayana, B.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 10
• Pages of publication: o2403 - o2404
• a: 14.9089 ± 0.0005 Å
• b: 12.5934 ± 0.0003 Å
• c: 14.5074 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2723.82 ± 0.15 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0518
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.0738
• Weighted residual factors for all reflections included in the refinement: 0.0766
• Goodness-of-fit parameter for all reflections included in the refinement: 0.921
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes