Information card for entry 4510535

Structure parameters

• Common name: droperidol hemihydrate
• Chemical name: 1-{1-[4-(4-fluorophenyl)-4-oxobutyl]-1,2,5,6-tetrahydropyridin-4-yl] -1,3-dihydro-2H-benzimidazol}-2-one hemihydrate
• Formula: C22 H23 F N3 O2.5
• Calculated formula: C22 H23 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: 6.2743 ± 0.0003 Å
• b: 10.156 ± 0.0006 Å
• c: 15.7786 ± 0.0009 Å
• α: 102.253 ± 0.002°
• β: 92.501 ± 0.002°
• γ: 99.46 ± 0.002°
• Cell volume: 965.95 ± 0.09 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: 0.0916
• Residual factor for significantly intense reflections: 0.0556
• Weighted residual factors for significantly intense reflections: 0.1361
• Weighted residual factors for all reflections included in the refinement: 0.1635
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No