Information card for entry 2238375

Structure parameters

• Chemical name: Methyl 3'-benzyl-4'-(2-chlorophenyl)-1'-methyl-2-oxospiro[indoline-3,2'-pyrrolidine]-3'-carboxylate
• Formula: C27 H25 Cl N2 O3
• Calculated formula: C27 H25 Cl N2 O3
• SMILES: Clc1ccccc1[C@@H]1CN([C@]2([C@@]1(Cc1ccccc1)C(=O)OC)c1ccccc1NC2=O)C.Clc1ccccc1[C@H]1CN([C@@]2([C@]1(Cc1ccccc1)C(=O)OC)c1ccccc1NC2=O)C
• Title of publication: Methyl 3'-benzyl-4'-(2-chlorophenyl)-1'-methyl-2-oxospiro[indoline-3,2'-pyrrolidine]-3'-carboxylate
• Authors of publication: Anuradha, T.; Devaraj, A.; Seshadri, P. R.; Bakthadoss, M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 8
• Pages of publication: o1214
• a: 13.0887 ± 0.0006 Å
• b: 14.0869 ± 0.0007 Å
• c: 13.3521 ± 0.0007 Å
• α: 90°
• β: 113.524 ± 0.002°
• γ: 90°
• Cell volume: 2257.3 ± 0.2 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.068
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.1078
• Weighted residual factors for all reflections included in the refinement: 0.1221
• Goodness-of-fit parameter for all reflections included in the refinement: 0.981
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes