Information card for entry 2231818

Structure parameters

• Chemical name: 4,4'-Dichloro-2,2'-[imidazolidine-1,3-diylbis(methylene)]diphenol
• Formula: C17 H18 Cl2 N2 O2
• Calculated formula: C17 H18 Cl2 N2 O2
• SMILES: C1N(CCN1Cc1cc(ccc1O)Cl)Cc1cc(ccc1O)Cl
• Title of publication: 4,4'-Dichloro-2,2'-[imidazolidine-1,3-diylbis(methylene)]diphenol
• Authors of publication: Rivera, Augusto; Sadat-Bernal, John; Ríos-Motta, Jaime; Pojarová, Michaela; Dušek, Michal
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 10
• Pages of publication: o2581
• a: 10.864 ± 0.0002 Å
• b: 9.6125 ± 0.0002 Å
• c: 16.7242 ± 0.0004 Å
• α: 90°
• β: 106.608 ± 0.002°
• γ: 90°
• Cell volume: 1673.65 ± 0.06 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0378
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.098
• Weighted residual factors for all reflections included in the refinement: 0.1005
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes