Information card for entry 2216775

Structure parameters

• Common name: 1-spiro-2'-pyrrolidine-3'-spiro-3''-piperidine-2,4''-dione
• Chemical name: 4-(4-Chlorophenyl)-5-phenylpyrrolo-(spiro[2.2'']-acenaphthene- 1''-one)-spiro[3.3']-5'-(4-chlorophenylmethylidene)-1'- methyltetrahydro-4'-(1H)-pyridinone
• Formula: C39 H30 Cl2 N2 O2
• Calculated formula: C39 H30 Cl2 N2 O2
• SMILES: Clc1ccc([C@@H]2[C@@]3(C(=O)/C(=C/c4ccc(Cl)cc4)CN(C3)C)[C@]3(N[C@H]2c2ccccc2)c2c4c(cccc4C3=O)ccc2)cc1.Clc1ccc([C@H]2[C@]3(C(=O)/C(=C/c4ccc(Cl)cc4)CN(C3)C)[C@@]3(N[C@@H]2c2ccccc2)c2c4c(cccc4C3=O)ccc2)cc1
• Title of publication: 5''-(4-Chlorobenzylidene)-4'-(4-chlorophenyl)-1''-methyl-5'-phenylacenaphthene-1-spiro-2'-pyrrolidine-3'-spiro-3''-piperidine-2,4''-dione
• Authors of publication: S. Athimoolam; R. Ranjith Kumar; K. Vijaya; R. Sayee Kannan; S. Perumal
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: o4635 - o4636
• a: 9.5567 ± 0.0006 Å
• b: 12.0442 ± 0.0011 Å
• c: 14.8593 ± 0.0015 Å
• α: 76.025 ± 0.011°
• β: 75.445 ± 0.009°
• γ: 76.22 ± 0.008°
• Cell volume: 1577.5 ± 0.3 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: 0.0929
• Residual factor for significantly intense reflections: 0.0484
• Weighted residual factors for significantly intense reflections: 0.1192
• Weighted residual factors for all reflections included in the refinement: 0.1424
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes