Information card for entry 2233256

Structure parameters

• Chemical name: 3'-[Hydroxy(4-oxo-4<i>H</i>-chromen-3-yl)methyl]-2-oxospiro[indoline-3,2'- pyrrolidine]-3'-carbonitrile
• Formula: C23 H19 N3 O4
• Calculated formula: C23 H19 N3 O4
• SMILES: c12ccccc1occ(c2=O)[C@@H]([C@@]1(C#N)CCN(C)[C@]21C(=O)Nc1c2cccc1)O.c12ccccc1occ(c2=O)[C@H]([C@]1(C#N)CCN(C)[C@@]21C(=O)Nc1c2cccc1)O
• Title of publication: 3'-[Hydroxy(4-oxo-4<i>H</i>-chromen-3-yl)methyl]-2-oxospiro[indoline-3,2'-pyrrolidine]-3'-carbonitrile
• Authors of publication: Govindan, E.; SakthiMurugesan, K.; SubbiahPandi, A.; Yuvaraj, P.; Reddy, Boreddy S. R.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 1
• Pages of publication: o136 - o137
• a: 9.3483 ± 0.0007 Å
• b: 10.2256 ± 0.0009 Å
• c: 10.908 ± 0.0009 Å
• α: 71.832 ± 0.005°
• β: 88.309 ± 0.005°
• γ: 78.248 ± 0.005°
• Cell volume: 969.32 ± 0.14 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0659
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.0903
• Weighted residual factors for all reflections included in the refinement: 0.1061
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes