Information card for entry 2222593

Structure parameters

• Common name: 1N-Methyl-3,3-dicarbonitrile-4,5-dispirooxindolinpyrrolidine
• Chemical name: 1'-Methyl-2,2''-dioxoindoline-3-spiro-2'-pyrrolidine-3'-spiro-3''-indoline- 4',4'-dicarbonitrile
• Formula: C21 H15 N5 O2
• Calculated formula: C21 H15 N5 O2
• SMILES: O=C1Nc2c([C@]31[C@]1(C(=O)Nc4ccccc14)C(CN3C)(C#N)C#N)cccc2.O=C1Nc2c([C@@]31[C@@]1(C(=O)Nc4ccccc14)C(CN3C)(C#N)C#N)cccc2
• Title of publication: 1'-Methyl-2,2''-dioxoindoline-3-spiro-2'-pyrrolidine-3'-spiro-3''-indoline-4',4'-dicarbonitrile
• Authors of publication: Ramesh, P.; Sundaresan, S. S.; Lakshmi, N. Vidhya; Perumal, Paramasivan T.; Ponnuswamy, M. N.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 8
• Pages of publication: o1945
• a: 13.3173 ± 0.0003 Å
• b: 9.948 ± 0.0002 Å
• c: 13.395 ± 0.0003 Å
• α: 90°
• β: 91.827 ± 0.001°
• γ: 90°
• Cell volume: 1773.67 ± 0.07 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.078
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.1243
• Weighted residual factors for all reflections included in the refinement: 0.1421
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes