Information card for entry 7220693

Structure parameters

• Common name: 5-bromo-3-hydroxy 3-(3-oxopentylindolin-2-one
• Chemical name: 5-bromo-3-hydroxy 3-(3-oxopentyl)indolin-2-one
• Formula: C13 H14 Br N O3
• Calculated formula: C13 H14 Br N O3
• SMILES: Brc1cc2c(NC(=O)C2(O)CCC(=O)CC)cc1
• Title of publication: Indium/Fe(III) - mediated regioselective β-cross-coupling aldol type addition reaction of activated alkenes with isatins/isatinimines in aqueous media
• Authors of publication: Meshram, Harshadas Mitaram; A., Sanjeeva Kumar; Ramesh, Palakuri; G., Santosh Kumar; Nanubolu, Jagadeesh Babu; Prabhakar Rao, Tadikamalla
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 7.5781 ± 0.0013 Å
• b: 13.148 ± 0.002 Å
• c: 14.903 ± 0.003 Å
• α: 71.939 ± 0.003°
• β: 78.573 ± 0.004°
• γ: 82.292 ± 0.004°
• Cell volume: 1379.5 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0665
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for significantly intense reflections: 0.11
• Weighted residual factors for all reflections included in the refinement: 0.1225
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No