Information card for entry 2231449

Structure parameters

• Common name: 1-Benzyl-2,5-diphenyl-3-tosylimidazolidin-4-one
• Chemical name: 1-Benzyl-3-(4-methylphenylsulfonyl)-2,5-diphenylimidazolidin-4-one
• Formula: C29 H26 N2 O3 S
• Calculated formula: C29 H26 N2 O3 S
• SMILES: Cc1ccc(cc1)S(=O)(=O)N1[C@H](c2ccccc2)N(Cc2ccccc2)[C@@H](C1=O)c1ccccc1.Cc1ccc(cc1)S(=O)(=O)N1[C@@H](c2ccccc2)N(Cc2ccccc2)[C@H](C1=O)c1ccccc1
• Title of publication: 1-Benzyl-2,5-diphenyl-3-tosylimidazolidin-4-one
• Authors of publication: Sakthimurugesan, K.; Ranjith, S.; SubbiahPandi, A.; Namitharan, K.; Pitchumani, K.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 9
• Pages of publication: o2359
• a: 18.6024 ± 0.0007 Å
• b: 8.0489 ± 0.0003 Å
• c: 17.086 ± 0.0006 Å
• α: 90°
• β: 106.426 ± 0.002°
• γ: 90°
• Cell volume: 2453.85 ± 0.16 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0578
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.1017
• Weighted residual factors for all reflections included in the refinement: 0.1147
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes