Information card for entry 2239473

Structure parameters

• Chemical name: Methyl 3'-benzyl-4'-(2,4-dichlorophenyl)-1'-methyl-2-oxo-1-propylspiro[indoline-3,2'-pyrrolidine]-3'-carboxylate
• Formula: C30 H30 Cl2 N2 O3
• Calculated formula: C30 H30 Cl2 N2 O3
• SMILES: c1(cc(ccc1[C@H]1CN([C@@]2(C(=O)N(c3ccccc23)CCC)[C@]1(Cc1ccccc1)C(=O)OC)C)Cl)Cl.c1(cc(ccc1[C@@H]1CN([C@]2(C(=O)N(c3ccccc23)CCC)[C@@]1(Cc1ccccc1)C(=O)OC)C)Cl)Cl
• Title of publication: Methyl 3'-benzyl-4'-(2,4-dichlorophenyl)-1'-methyl-2-oxo-1-propylspiro[indoline-3,2'-pyrrolidine]-3'-carboxylate
• Authors of publication: Karthikeyan, S.; Sethusankar, K.; Devaraj, Anthonisamy; Bakthadoss, Manickam
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 3
• Pages of publication: o272
• a: 7.5563 ± 0.0004 Å
• b: 28.8497 ± 0.0016 Å
• c: 12.4274 ± 0.0008 Å
• α: 90°
• β: 90.433 ± 0.003°
• γ: 90°
• Cell volume: 2709.1 ± 0.3 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: 0.0881
• Residual factor for significantly intense reflections: 0.0505
• Weighted residual factors for significantly intense reflections: 0.141
• Weighted residual factors for all reflections included in the refinement: 0.1668
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes