Information card for entry 2229132

Structure parameters

• Chemical name: 1-[4-(3-{[5-(4-Chlorophenyl)furan-2-yl]methylideneamino}-2,5- dioxoimidazolidin-1-yl)butyl]-4-methylpiperazine-1,4-diium dichloride hemihydrate
• Formula: C23 H31 Cl3 N5 O3.5
• Calculated formula: C23 H31 Cl3 N5 O3.5
• Title of publication: 1-[4-(3-{[5-(4-Chlorophenyl)furan-2-yl]methylideneamino}-2,5-dioxoimidazolidin-1-yl)butyl]-4-methylpiperazine-1,4-diium dichloride hemihydrate
• Authors of publication: Liang, Yan-Shu; Mu, Shuai; Liu, Ying; Liu, Deng-Ke
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 2
• Pages of publication: o320
• a: 59.563 ± 0.012 Å
• b: 6.8793 ± 0.0014 Å
• c: 12.831 ± 0.002 Å
• α: 90°
• β: 94.402 ± 0.004°
• γ: 90°
• Cell volume: 5242 ± 1.7 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.113
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for significantly intense reflections: 0.0853
• Weighted residual factors for all reflections included in the refinement: 0.1225
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes