Information card for entry 2232265

Structure parameters

• Common name: 2-(2-bromoethyl)isoindoline-1,3-dione
• Chemical name: 2-(2-Bromoethyl)isoindoline-1,3-dione
• Formula: C10 H8 Br N O2
• Calculated formula: C10 H8 Br N O2
• SMILES: BrCCN1C(=O)c2ccccc2C1=O
• Title of publication: 2-(2-Bromoethyl)isoindoline-1,3-dione
• Authors of publication: Sun, Xiao-Qiang; An, Dong; Shao, Ying
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 11
• Pages of publication: o2832
• a: 8.575 ± 0.002 Å
• b: 11.067 ± 0.003 Å
• c: 16.333 ± 0.005 Å
• α: 99.001 ± 0.006°
• β: 96.164 ± 0.005°
• γ: 102.259 ± 0.006°
• Cell volume: 1480 ± 0.7 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 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: 0.1
• Residual factor for significantly intense reflections: 0.0606
• Weighted residual factors for significantly intense reflections: 0.1622
• Weighted residual factors for all reflections included in the refinement: 0.1765
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes