Information card for entry 2238673

Structure parameters

• Chemical name: 3'-[(1<i>H</i>-Indol-3-yl)carbonyl]-1'-methyl-2-oxo-4'-(thiophen-\ 2-yl)spiro[indoline-3,2'-pyrrolidine]-3'-carbonitrile
• Formula: C26 H20 N4 O2 S
• Calculated formula: C26 H20 N4 O2 S
• SMILES: [C@@H]1(CN(C)[C@]2([C@@]1(C(=O)c1c3ccccc3[nH]c1)C#N)c1ccccc1NC2=O)c1cccs1.[C@H]1(CN(C)[C@@]2([C@]1(C(=O)c1c3ccccc3[nH]c1)C#N)c1ccccc1NC2=O)c1cccs1
• Title of publication: 3'-[(1<i>H</i>-Indol-3-yl)carbonyl]-1'-methyl-2-oxo-4'-(thiophen-2-yl)spiro[indoline-3,2'-pyrrolidine]-3'-carbonitrile
• Authors of publication: Inglebert, S. Antony; Arun, Yuvaraj; Sethusankar, K.; Perumal, Paramasivam T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 10
• Pages of publication: o1585
• a: 11.6215 ± 0.0006 Å
• b: 17.105 ± 0.0011 Å
• c: 12.3381 ± 0.0008 Å
• α: 90°
• β: 114.431 ± 0.002°
• γ: 90°
• Cell volume: 2233 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.1036
• Residual factor for significantly intense reflections: 0.0733
• Weighted residual factors for significantly intense reflections: 0.222
• Weighted residual factors for all reflections included in the refinement: 0.2523
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No