Information card for entry 2239459

Structure parameters

• Chemical name: Methyl 4'-(3-bromophenyl)-3'-(2,5-dimethylbenzyl)-1'-methyl-2-oxospiro[indoline-3,2'-pyrrolidine]-3'-carboxylate
• Formula: C29 H29 Br N2 O3
• Calculated formula: C29 H29 Br N2 O3
• SMILES: c1c(cccc1[C@@H]1CN([C@]2(C(=O)Nc3ccccc23)[C@@]1(Cc1cc(ccc1C)C)C(=O)OC)C)Br.c1c(cccc1[C@H]1CN([C@@]2(C(=O)Nc3ccccc23)[C@]1(Cc1cc(ccc1C)C)C(=O)OC)C)Br
• Title of publication: Methyl 4'-(3-bromophenyl)-3'-(2,5-dimethylbenzyl)-1'-methyl-2-oxospiro[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: o299 - o300
• a: 12.0673 ± 0.0004 Å
• b: 9.4109 ± 0.0003 Å
• c: 22.5852 ± 0.0007 Å
• α: 90°
• β: 103.66 ± 0.002°
• γ: 90°
• Cell volume: 2492.32 ± 0.14 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: 0.0624
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.0852
• Weighted residual factors for all reflections included in the refinement: 0.0971
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes