Information card for entry 7230104

Structure parameters

• Chemical name: 2-oxindole
• Formula: C8 H7 N O
• Calculated formula: C8 H7 N O
• SMILES: O=C1Nc2ccccc2C1
• Title of publication: Polymorphs of oxindole as the core structures in bioactive compounds
• Authors of publication: Hachuła, Barbara; Zubko, Maciej; Zajdel, Paweł; Książek, Maria; Kusz, Joachim; Starczewska, Oliwia; Janek, Joanna; Pisarski, Wojciech
• Journal of publication: CrystEngComm
• Year of publication: 2018
• Journal volume: 20
• Journal issue: 12
• Pages of publication: 1739
• a: 12.2387 ± 0.0007 Å
• b: 7.2236 ± 0.0004 Å
• c: 8.0822 ± 0.0004 Å
• α: 90°
• β: 103.325 ± 0.006°
• γ: 90°
• Cell volume: 695.29 ± 0.07 ų
• Cell temperature: 293 ± 1 K
• Ambient diffraction temperature: 293 ± 1 K
• Number of distinct elements: 4
• 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: 0.0809
• Residual factor for significantly intense reflections: 0.0499
• Weighted residual factors for significantly intense reflections: 0.122
• Weighted residual factors for all reflections included in the refinement: 0.1518
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No