Information card for entry 4510531

Structure parameters

• Common name: Droperidol ethanol solvate
• Chemical name: 1-[1-[4-(4-Fluorophenyl)-4-oxobutyl]-1,2,3,6-tetrahydro-4-pyridyl] -1,3-dihydro-2H-benzimidazol-2-one
• Formula: C46 H50 F2 N6 O5
• Calculated formula: C46 H50 F2 N6 O5
• 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: 6.084 ± 0.0001 Å
• b: 10.2978 ± 0.0003 Å
• c: 16.1737 ± 0.0005 Å
• α: 100.93 ± 0.001°
• β: 92.6382 ± 0.001°
• γ: 95.9415 ± 0.0015°
• Cell volume: 987.35 ± 0.05 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: 0.0794
• Residual factor for significantly intense reflections: 0.0511
• Weighted residual factors for significantly intense reflections: 0.1228
• Weighted residual factors for all reflections included in the refinement: 0.1381
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No