Information card for entry 2020256

Structure parameters

• Chemical name: 1-Benzyl-5-fluoroindoline-2,3-dione
• Formula: C15 H10 F N O2
• Calculated formula: C15 H10 F N O2
• SMILES: Fc1ccc2N(C(=O)C(=O)c2c1)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: 6.6616 ± 0.0012 Å
• b: 4.8577 ± 0.001 Å
• c: 19.099 ± 0.004 Å
• α: 90°
• β: 99.821 ± 0.006°
• γ: 90°
• Cell volume: 609 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.0877
• Residual factor for significantly intense reflections: 0.0547
• Weighted residual factors for significantly intense reflections: 0.0734
• Weighted residual factors for all reflections included in the refinement: 0.08
• Goodness-of-fit parameter for all reflections included in the refinement: 1.162
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes