Information card for entry 7121616

Structure parameters

• Chemical name: 5-(4-fluorophenyl)-3-[2-hydroxy-3-(4-phenylpiperazin-1-yl)propyl]-5-methylimidazolidine-2,4-dione
• Formula: C23 H27 Cl0 F N4 O3
• Calculated formula: C23 H27 F N4 O3
• Title of publication: The role of aryl-topology in balancing between selective and dual 5-HT₇R/5-HT_1A actions of 3,5-substituted hydantoins.
• Authors of publication: Kucwaj-Brysz, Katarzyna; Kurczab, Rafał; Żesławska, Ewa; Lubelska, Annamaria; Marć, Małgorzata Anna; Latacz, Gniewomir; Satała, Grzegorz; Nitek, Wojciech; Kieć-Kononowicz, Katarzyna; Handzlik, Jadwiga
• Journal of publication: MedChemComm
• Year of publication: 2018
• Journal volume: 9
• Journal issue: 6
• Pages of publication: 1033 - 1044
• a: 17.423 ± 0.0007 Å
• b: 6.0728 ± 0.0002 Å
• c: 20.2071 ± 0.0007 Å
• α: 90°
• β: 103.62 ± 0.004°
• γ: 90°
• Cell volume: 2077.92 ± 0.13 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.112
• Residual factor for significantly intense reflections: 0.0738
• Weighted residual factors for significantly intense reflections: 0.1793
• Weighted residual factors for all reflections included in the refinement: 0.2028
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No