Information card for entry 2220339

Structure parameters

• Chemical name: 4,4'-Dichloro-2,2'-(piperazine-1,4-diyldimethylene)diphenol
• Formula: C18 H20 Cl2 N2 O2
• Calculated formula: C18 H20 Cl2 N2 O2
• SMILES: Clc1ccc(O)c(c1)CN1CCN(CC1)Cc1cc(Cl)ccc1O
• Title of publication: 4,4'-Dichloro-2,2'-(piperazine-1,4-diyldimethylene)diphenol
• Authors of publication: Kubono, Koji; Tsuno, Yuki; Tani, Keita; Yokoi, Kunihiko
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 12
• Pages of publication: o2309
• a: 14.055 ± 0.004 Å
• b: 21.214 ± 0.011 Å
• c: 11.873 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3540 ± 2 ų
• Cell temperature: 298.1 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for all reflections included in the refinement: 0.1046
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes