Information card for entry 2238544

Structure parameters

• Chemical name: 4'-(1<i>H</i>-Imidazol-2-yl)-3'-[(1<i>H</i>-indol-3-yl)carbonyl]-1'-methyl-2-oxospiro[indoline-3,2'-pyrrolidine]-3'-carbonitrile 0.15-hydrate
• Formula: C25 H20.3 N6 O2.15
• Calculated formula: C25 H20.3 N6 O2.15
• Title of publication: 4'-(1<i>H</i>-Imidazol-2-yl)-3'-[(1<i>H</i>-indol-3-yl)carbonyl]-1'-methyl-2-oxospiro[indoline-3,2'-pyrrolidine]-3'-carbonitrile 0.15-hydrate
• 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: 9
• Pages of publication: o1481
• a: 8.65 ± 0.005 Å
• b: 16.952 ± 0.005 Å
• c: 14.438 ± 0.005 Å
• α: 90°
• β: 97.161 ± 0.005°
• γ: 90°
• Cell volume: 2100.6 ± 1.5 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0549
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.1002
• Weighted residual factors for all reflections included in the refinement: 0.1104
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes