Information card for entry 2213229

Structure parameters

• Chemical name: 2'-(2-Chlorophenyl)-1'-nitro-2',3',3a',4',5',6'-hexahydroindan-2-spiro- 3'-1'H-pyrrolizine-1,3-dione
• Formula: C21 H17 Cl N2 O4
• Calculated formula: C21 H17 Cl N2 O4
• SMILES: [C@H]1(C2(C(=O)c3ccccc3C2=O)N2CCC[C@H]2[C@H]1N(=O)=O)c1ccccc1Cl.[C@@H]1(C2(C(=O)c3ccccc3C2=O)N2CCC[C@@H]2[C@@H]1N(=O)=O)c1ccccc1Cl
• Title of publication: 2'-(2-Chlorophenyl)-1'-nitro-2',3',3a',4',5',6'-hexahydroindan-2-spiro-3'-1'<i>H</i>-pyrrolizine-1,3-dione
• Authors of publication: B. K. Satis Kumar; D. Gayathri; D. Velmurugan; K. Ravikumar; M. Poornachandran
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 5
• Pages of publication: o2233 - o2235
• a: 7.6022 ± 0.0005 Å
• b: 9.7346 ± 0.0007 Å
• c: 12.6386 ± 0.0009 Å
• α: 85.296 ± 0.001°
• β: 84.2 ± 0.001°
• γ: 86.527 ± 0.001°
• Cell volume: 926.1 ± 0.11 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: 0.0671
• Residual factor for significantly intense reflections: 0.0599
• Weighted residual factors for significantly intense reflections: 0.1777
• Weighted residual factors for all reflections included in the refinement: 0.1875
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes