Information card for entry 2239171

Structure parameters

• Chemical name: 5-Chloro-5''-(4-chlorobenzylidene)-4'-(4-chlorophenyl)-1''-ethyl-1'-methyldispiro[indoline-3,2'-pyrrolidine-3',3''-piperidine]-2,4''-dione
• Formula: C31 H28 Cl3 N3 O2
• Calculated formula: C31 H28 Cl3 N3 O2
• SMILES: Clc1ccc(/C=C/2CN(C[C@]3(C2=O)[C@@]2(N(C[C@@H]3c3ccc(Cl)cc3)C)C(=O)Nc3ccc(Cl)cc23)CC)cc1.Clc1ccc(/C=C/2CN(C[C@@]3(C2=O)[C@]2(N(C[C@H]3c3ccc(Cl)cc3)C)C(=O)Nc3ccc(Cl)cc23)CC)cc1
• Title of publication: 5-Chloro-5''-(4-chlorobenzylidene)-4'-(4-chlorophenyl)-1''-ethyl-1'-methyldispiro[indoline-3,2'-pyrrolidine-3',3''-piperidine]-2,4''-dione
• Authors of publication: Farag, I. S. Ahmed; Girgis, Adel S.; Ramadan, A. A.; Moustafa, A. M.; Tiekink, Edward R. T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 1
• Pages of publication: o43 - o44
• a: 11.1901 ± 0.0002 Å
• b: 11.6434 ± 0.0003 Å
• c: 12.427 ± 0.0003 Å
• α: 99.477 ± 0.002°
• β: 90.235 ± 0.002°
• γ: 114.893 ± 0.001°
• Cell volume: 1443.77 ± 0.06 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0959
• Residual factor for significantly intense reflections: 0.0574
• Weighted residual factors for significantly intense reflections: 0.1355
• Weighted residual factors for all reflections included in the refinement: 0.1603
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes