Information card for entry 2022383

Structure parameters

• Common name: 1-Allyl-3-hydroxy-3-(6-oxocyclohex-1-en-1-yl)indolin-2-one
• Chemical name: 3-Hydroxy-3-(6-oxocyclohex-1-en-1-yl)-1-(prop-2-en-1-yl)indol-2-one
• Formula: C17 H17 N O3
• Calculated formula: C17 H17 N O3
• Title of publication: Synthesis, spectroscopic investigation, crystal structure analysis, quantum chemical study, biological activity and molecular docking of three isatin derivatives
• Authors of publication: Bargavi, Srinivasan; Gouthaman, Siddan; Sugunalakshmi, Madurai; Lakshmi, Srinivasakannan
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2021
• Journal volume: 77
• Journal issue: 6
• a: 11.675 ± 0.0007 Å
• b: 8.6138 ± 0.0005 Å
• c: 14.1504 ± 0.0008 Å
• α: 90°
• β: 90.075 ± 0.002°
• γ: 90°
• Cell volume: 1423.05 ± 0.14 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.0661
• Residual factor for significantly intense reflections: 0.0512
• Weighted residual factors for significantly intense reflections: 0.1202
• Weighted residual factors for all reflections included in the refinement: 0.1349
• Goodness-of-fit parameter for all reflections included in the refinement: 1.127
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes