Information card for entry 2224566

Structure parameters

• Chemical name: 1'-Methyl-2-oxo-5'-phenylspiro[indoline-3,3'-pyrrolidine]-4',4'-dicarbonitrile
• Formula: C20 H16 N4 O
• Calculated formula: C20 H16 N4 O
• SMILES: N#CC1(C#N)[C@@H](c2ccccc2)N(C[C@@]21C(=O)Nc1c2cccc1)C.N#CC1(C#N)[C@H](c2ccccc2)N(C[C@]21C(=O)Nc1c2cccc1)C
• Title of publication: 1'-Methyl-2-oxo-5'-phenylspiro[indoline-3,3'-pyrrolidine]-4',4'-dicarbonitrile
• Authors of publication: Nabid, Mohammad Reza; Tabatabaei Rezaei, Seyed Jamal; Fazaeli, Yousef; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 1
• Pages of publication: o145
• a: 14.375 ± 0.0003 Å
• b: 15.8411 ± 0.0003 Å
• c: 30.7348 ± 0.0005 Å
• α: 90°
• β: 101.888 ± 0.001°
• γ: 90°
• Cell volume: 6848.7 ± 0.2 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.1171
• Residual factor for significantly intense reflections: 0.072
• Weighted residual factors for significantly intense reflections: 0.166
• Weighted residual factors for all reflections included in the refinement: 0.1976
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes