Information card for entry 2236476

Structure parameters

• Chemical name: 4,4'-Dimethyl-2,2'-[imidazolidine-1,3-diylbis(methylene)]diphenol
• Formula: C19 H24 N2 O2
• Calculated formula: C19 H24 N2 O2
• SMILES: Oc1c(cc(cc1)C)CN1CN(Cc2c(O)ccc(c2)C)CC1
• Title of publication: 4,4'-Dimethyl-2,2'-[imidazolidine-1,3-diylbis(methylene)]diphenol
• Authors of publication: Rivera, Augusto; Nerio, Luz Stella; Ríos-Motta, Jaime; Kučeraková, Monika; Dušek, Michal
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 11
• Pages of publication: o3172
• a: 11.5029 ± 0.0004 Å
• b: 9.5001 ± 0.0003 Å
• c: 16.1874 ± 0.0006 Å
• α: 90°
• β: 107.078 ± 0.003°
• γ: 90°
• Cell volume: 1690.94 ± 0.1 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 4
• 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: 0.0332
• Weighted residual factors for significantly intense reflections: 0.1013
• Weighted residual factors for all reflections included in the refinement: 0.1044
• Goodness-of-fit parameter for all reflections included in the refinement: 1.93
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes