Information card for entry 2207150

Structure parameters

• Chemical name: 3'-Nitro-4'-(4-methylphenyl)spiro[1H-indole-3,2'-pyrrolidin]-2-one
• Formula: C19 H19 N3 O3
• Calculated formula: C19 H19 N3 O3
• SMILES: O=N(=O)[C@H]1[C@@H](CN([C@@]21C(=O)Nc1ccccc21)C)c1ccc(cc1)C.O=N(=O)[C@@H]1[C@H](CN([C@]21C(=O)Nc1ccccc21)C)c1ccc(cc1)C
• Title of publication: 4'-(4-Methylphenyl)-3'-nitrospiro[1<i>H</i>-indole-3,2'-pyrrolidin]-2-one
• Authors of publication: S. Selvanayagam; P. Rathisuganya; B. Shaherin; D. Velmurugan; K. Ravikumar; M. Poornachandran
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 11
• Pages of publication: o3693 - o3695
• a: 9.8697 ± 0.0008 Å
• b: 16.446 ± 0.0014 Å
• c: 21.4643 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3484 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.091
• Residual factor for significantly intense reflections: 0.0631
• Weighted residual factors for significantly intense reflections: 0.1367
• Weighted residual factors for all reflections included in the refinement: 0.151
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes