Information card for entry 2210901

Structure parameters

• Chemical name: 3'-Nitro-4'-phenylspiro[1H-indole-3,2'-pyrrolidin]-2-one
• Formula: C18 H17 N3 O3
• Calculated formula: C18 H17 N3 O3
• SMILES: O=N(=O)[C@@H]1[C@H](CN([C@]21C(=O)Nc1ccccc21)C)c1ccccc1.O=N(=O)[C@H]1[C@@H](CN([C@@]21C(=O)Nc1ccccc21)C)c1ccccc1
• Title of publication: 3'-Nitro-4'-phenylspiro[1<i>H</i>-indole-3,2'-pyrrolidin]-2-one
• Authors of publication: S. Selvanayagam; D. Velmurugan; K. Ravikumar; M. Poornachandran; R. Raghunathan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 11
• Pages of publication: o5072 - o5074
• a: 11.8937 ± 0.0013 Å
• b: 7.9224 ± 0.0009 Å
• c: 17.5571 ± 0.0019 Å
• α: 90°
• β: 97.299 ± 0.002°
• γ: 90°
• Cell volume: 1640.9 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0914
• Residual factor for significantly intense reflections: 0.07
• Weighted residual factors for significantly intense reflections: 0.1634
• Weighted residual factors for all reflections included in the refinement: 0.1765
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes