Information card for entry 2238324

Structure parameters

• Chemical name: 2,2'-{[2-(2-Chlorophenyl)-4-methylimidazolidine-1,3-diyl]bis(methylene)}diphenol
• Formula: C24 H25 Cl N2 O2
• Calculated formula: C24 H25 Cl N2 O2
• SMILES: Clc1c(cccc1)[C@@H]1N(Cc2c(O)cccc2)[C@@H](CN1Cc1c(O)cccc1)C.Clc1c(cccc1)[C@H]1N(Cc2c(O)cccc2)[C@H](CN1Cc1c(O)cccc1)C
• Title of publication: 2,2'-{[2-(2-Chlorophenyl)-4-methylimidazolidine-1,3-diyl]bis(methylene)}diphenol
• Authors of publication: Rivera, Augusto; Cárdenas, Lorena; Ríos-Motta, Jaime; Kučeraková, Monika; Dušek, Michal
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 8
• Pages of publication: o1221 - o1222
• a: 7.0281 ± 0.0002 Å
• b: 9.7903 ± 0.0003 Å
• c: 30.3813 ± 0.0006 Å
• α: 90°
• β: 94.168 ± 0.002°
• γ: 90°
• Cell volume: 2084.92 ± 0.1 ų
• Cell temperature: 119.8 ± 0.6 K
• Ambient diffraction temperature: 119.8 K
• Number of distinct elements: 5
• 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: 0.0661
• Residual factor for significantly intense reflections: 0.0574
• Weighted residual factors for significantly intense reflections: 0.0781
• Weighted residual factors for all reflections included in the refinement: 0.0809
• Goodness-of-fit parameter for all reflections included in the refinement: 2.66
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes