Information card for entry 2236618

Structure parameters

• Chemical name: 4,4'-Difluoro-2,2'-[imidazolidine-1,3-diylbis(methylene)]diphenol
• Formula: C17 H18 F2 N2 O2
• Calculated formula: C17 H18 F2 N2 O2
• SMILES: Fc1cc(c(O)cc1)CN1CCN(Cc2c(O)ccc(F)c2)C1
• Title of publication: 4,4'-Difluoro-2,2'-[imidazolidine-1,3-diylbis(methylene)]diphenol
• Authors of publication: Rivera, Augusto; Nerio, Luz Stella; Ríos-Motta, Jaime; Kučeráková, Monika; Dušek, Michal
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 10
• Pages of publication: o3043 - o3044
• a: 9.5952 ± 0.0002 Å
• b: 9.7018 ± 0.0002 Å
• c: 16.2065 ± 0.0003 Å
• α: 90°
• β: 99.4807 ± 0.0017°
• γ: 90°
• Cell volume: 1488.07 ± 0.05 ų
• Cell temperature: 119.9 ± 0.6 K
• Ambient diffraction temperature: 119.9 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: 0.0336
• Residual factor for significantly intense reflections: 0.0312
• Weighted residual factors for significantly intense reflections: 0.1061
• Weighted residual factors for all reflections included in the refinement: 0.1078
• Goodness-of-fit parameter for all reflections included in the refinement: 2.21
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes