Information card for entry 1545486

Structure parameters

• Chemical name: 3-Hydroxy-3-(2-oxo-2,3-dihydro-1<i>H</i>-indol-3-yl)-2,3-dihydro-1<i>H</i>-indol-2-one
• Formula: C16 H12 N2 O3
• Calculated formula: C16 H12 N2 O3
• SMILES: O=C1Nc2ccccc2[C@]1(O)[C@H]1C(=O)Nc2ccccc12.O=C1Nc2ccccc2[C@@]1(O)[C@@H]1C(=O)Nc2ccccc12
• Title of publication: 3-Hydroxy-3-(2-oxo-2,3-dihydro-1<i>H</i>-indol-3-yl)-2,3-dihydro-1<i>H</i>-indol-2-one
• Authors of publication: Mague, Joel T.; Mohamed, Shaaban K.; Akkurt, Mehmet; Adam, Mohamed Shaker S.; Hawaiz, Farouq E.
• Journal of publication: IUCrData
• Year of publication: 2017
• Journal volume: 2
• Journal issue: 2
• Pages of publication: x170139
• a: 7.7193 ± 0.0003 Å
• b: 8.6977 ± 0.0003 Å
• c: 9.5907 ± 0.0004 Å
• α: 90.457 ± 0.002°
• β: 95.07 ± 0.002°
• γ: 90.627 ± 0.002°
• Cell volume: 641.34 ± 0.04 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0469
• Residual factor for significantly intense reflections: 0.0394
• Weighted residual factors for significantly intense reflections: 0.0949
• Weighted residual factors for all reflections included in the refinement: 0.1011
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes