Information card for entry 2206881

Structure parameters

• Chemical name: 2'-(2-Chlorophenyl)-1'-nitro-2',3',4',5',6',7'-hexahydro-1H-indole-3-spiro- 3'-1'H-pyrrolizin-2(3H)-one
• Formula: C20 H18 Cl N3 O3
• Calculated formula: C20 H18 Cl N3 O3
• SMILES: Clc1c([C@@H]2[C@@]3(N4[C@H]([C@H]2N(=O)=O)CCC4)C(=O)Nc2c3cccc2)cccc1.Clc1c([C@H]2[C@]3(N4[C@@H]([C@@H]2N(=O)=O)CCC4)C(=O)Nc2c3cccc2)cccc1
• Title of publication: 2'-(2-Chlorophenyl)-1'-nitro-2',3',4',5',6',7'-hexahydro-1<i>H</i>-indole-3-spiro-3'-1'<i>H</i>-pyrrolizin-2(3<i>H</i>)-one
• Authors of publication: G. Usha; S. Selvanayagam; D. Velmurugan; K. Ravikumar; R. Raghunathan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 10
• Pages of publication: o3299 - o3301
• a: 8.4698 ± 0.0005 Å
• b: 9.3359 ± 0.0006 Å
• c: 12.6058 ± 0.0008 Å
• α: 74.394 ± 0.001°
• β: 72.025 ± 0.001°
• γ: 79.334 ± 0.001°
• Cell volume: 907.49 ± 0.1 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: 0.0457
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.1234
• Weighted residual factors for all reflections included in the refinement: 0.1275
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes