Information card for entry 2020255

Structure parameters

• Chemical name: 1-Benzyl-4,5,6-trimethoxyindoline-2,3-dione
• Formula: C18 H17 N O5
• Calculated formula: C18 H17 N O5
• SMILES: N1(c2cc(OC)c(OC)c(OC)c2C(=O)C1=O)Cc1ccccc1
• Title of publication: Two new isatin derivatives: 1-benzyl-4,5,6-trimethoxyindoline-2,3-dione and 1-benzyl-5-fluoroindoline-2,3-dione
• Authors of publication: Sharmila, N.; Sundar, T. V.; Satish, G.; Ilangovan, A.; Venkatesan, P.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 11
• a: 7.548 ± 0.005 Å
• b: 13.066 ± 0.005 Å
• c: 15.815 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1559.7 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0462
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.0953
• Weighted residual factors for all reflections included in the refinement: 0.1018
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes