Information card for entry 2233333

Structure parameters

• Chemical name: 5-Bromo-1-(prop-2-en-1-yl)-2,3-dihydro-1<i>H</i>-indole-2,3-dione
• Formula: C11 H8 Br N O2
• Calculated formula: C11 H8 Br N O2
• SMILES: Brc1ccc2N(C(=O)C(=O)c2c1)CC=C
• Title of publication: 5-Bromo-1-(prop-2-en-1-yl)-2,3-dihydro-1<i>H</i>-indole-2,3-dione
• Authors of publication: Maamri, Khalil; Zouihri, Hafid; Essassi, El Mokhtar; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 1
• Pages of publication: o240
• a: 31.3411 ± 0.0005 Å
• b: 7.8995 ± 0.0001 Å
• c: 8.2716 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2047.87 ± 0.05 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.0418
• Residual factor for significantly intense reflections: 0.0292
• Weighted residual factors for significantly intense reflections: 0.0807
• Weighted residual factors for all reflections included in the refinement: 0.0911
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes