Information card for entry 2312808

Structure parameters

• Common name: 3-(2,4-Dichlorobenzyl)-1-{2-hydroxy-3-[4-(3,4-dimethylphenyl)piperazin-1-yl]propyl}-5,5-dimethylimidazolidine-2,4-dione hydrochloride
• Chemical name: 1-(3-{3-[(2,4-Dichlorophenyl)methyl]-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl}-2-hydroxypropyl)-4-(3,4-dimethylphenyl)piperazin-1-ium chloride
• Formula: C27 H35 Cl3 N4 O3
• Calculated formula: C27 H35 Cl3 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: 7.8861 ± 0.0001 Å
• b: 13.2 ± 0.0001 Å
• c: 15.0567 ± 0.0001 Å
• α: 64.519 ± 0.001°
• β: 80.332 ± 0.001°
• γ: 85.943 ± 0.001°
• Cell volume: 1394.79 ± 0.03 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 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: 0.0351
• Residual factor for significantly intense reflections: 0.0337
• Weighted residual factors for significantly intense reflections: 0.087
• Weighted residual factors for all reflections included in the refinement: 0.0881
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes