Information card for entry 2312811

Structure parameters

• Common name: 3-(2,4-Dichlorobenzyl)-1-{2-hydroxy-3-[4-(3,4-dichlorophenyl)piperazin-1-yl]propyl}-5,5-dimethylimidazolidine-2,4-dione
• Chemical name: 3-[(2,4-Dichlorophenyl)methyl]-1-{3-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-hydroxypropyl}-5,5-dimethylimidazolidine-2,4-dione
• Formula: C25 H28 Cl4 N4 O3
• Calculated formula: C25 H28 Cl4 N4 O3
• Title of publication: Crystallographic studies of piperazine derivatives of 5,5-dimethylhydantoin in the search for structural features of α₁-adrenoreceptors antagonists.
• Authors of publication: Żesławska, Ewa; Nitek, Wojciech; Handzlik, Jadwiga
• Journal of publication: Acta crystallographica. Section C, Structural chemistry
• Year of publication: 2025
• Journal volume: 81
• Journal issue: Pt 5
• Pages of publication: 264 - 272
• a: 8.0564 ± 0.0003 Å
• b: 11.5668 ± 0.0005 Å
• c: 15.0297 ± 0.0007 Å
• α: 75.73 ± 0.004°
• β: 85.666 ± 0.003°
• γ: 75.595 ± 0.004°
• Cell volume: 1314.53 ± 0.1 ų
• Cell temperature: 130 ± 0.1 K
• Ambient diffraction temperature: 130 ± 0.1 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: 0.0917
• Residual factor for significantly intense reflections: 0.0607
• Weighted residual factors for significantly intense reflections: 0.1446
• Weighted residual factors for all reflections included in the refinement: 0.1651
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes