Information card for entry 4510533

Structure parameters

• Common name: droperidol methanol hemisolvate
• Chemical name: 1-{1-[4-(4-fluorophenyl)-4-oxobutyl]-1,2,5,6-tetrahydropyridin-4-yl] -1,3-dihydro-2H-benzimidazol}-2-one methanol hemisolvate
• Formula: C22.5 H24 F N3 O2.5
• Calculated formula: C22.5 H24 F N3 O2.5
• Title of publication: On the Formation of Droperidol Solvates: Characterization of Structure and Properties
• Authors of publication: Be̅rziņš, Agris; Skarbulis, Edgards; Rekis, Toms; Actiņš, Andris
• Journal of publication: Crystal Growth & Design
• Year of publication: 2014
• Journal volume: 14
• Journal issue: 5
• Pages of publication: 2654
• a: 6.0504 ± 0.0005 Å
• b: 10.2207 ± 0.0008 Å
• c: 16.11 ± 0.0014 Å
• α: 101.397 ± 0.002°
• β: 93.445 ± 0.003°
• γ: 97.022 ± 0.002°
• Cell volume: 965.62 ± 0.14 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 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: 0.0993
• Residual factor for significantly intense reflections: 0.0534
• Weighted residual factors for significantly intense reflections: 0.1237
• Weighted residual factors for all reflections included in the refinement: 0.1512
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No