Information card for entry 2239420

Structure parameters

• Chemical name: 6,6'-Dimethyl-2,2'-[imidazolidine-1,3-diylbis(methylene)]diphenol
• Formula: C19 H24 N2 O2
• Calculated formula: C19 H24 N2 O2
• SMILES: Oc1c(cccc1C)CN1CCN(C1)Cc1cccc(c1O)C
• Title of publication: 6,6'-Dimethyl-2,2'-[imidazolidine-1,3-diylbis(methylene)]diphenol
• Authors of publication: Rivera, Augusto; Nerio, Luz Stella; Bolte, Michael
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 3
• Pages of publication: o243
• a: 12.6271 ± 0.0011 Å
• b: 13.578 ± 0.0009 Å
• c: 10.1997 ± 0.0009 Å
• α: 90°
• β: 107.94 ± 0.007°
• γ: 90°
• Cell volume: 1663.7 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0498
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for significantly intense reflections: 0.1101
• Weighted residual factors for all reflections included in the refinement: 0.1143
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes