Information card for entry 2231015

Structure parameters

• Chemical name: 2-(4-Chlorophenyl)-5-(cyclohex-1-en-1-yl)-3-(4-methylphenylsulfonyl)-1- phenylimidazolidin-4-one
• Formula: C28 H27 Cl N2 O3 S
• Calculated formula: C28 H27 Cl N2 O3 S
• SMILES: Cc1ccc(cc1)S(=O)(=O)N1[C@@H](c2ccc(cc2)Cl)N([C@@H](C1=O)C1=CCCCC1)c1ccccc1.Cc1ccc(cc1)S(=O)(=O)N1[C@H](c2ccc(cc2)Cl)N([C@H](C1=O)C1=CCCCC1)c1ccccc1
• Title of publication: 2-(4-Chlorophenyl)-5-(cyclohex-1-en-1-yl)-3-(4-methylphenylsulfonyl)-1-phenylimidazolidin-4-one
• Authors of publication: Ranjith, S.; SakthiMurugesan, K.; SubbiahPandi, A.; Namitharan, K.; Pitchumani, K.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 8
• Pages of publication: o2071
• a: 10.9974 ± 0.0003 Å
• b: 13.4095 ± 0.0004 Å
• c: 17.4434 ± 0.0005 Å
• α: 90°
• β: 105.103 ± 0.002°
• γ: 90°
• Cell volume: 2483.52 ± 0.13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0795
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for significantly intense reflections: 0.1222
• Weighted residual factors for all reflections included in the refinement: 0.1394
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes