Information card for entry 2223760

Structure parameters

• Chemical name: 2-(3-Bromopropyl)isoindoline-1,3-dione
• Formula: C11 H10 Br N O2
• Calculated formula: C11 H10 Br N O2
• SMILES: N1(CCCBr)C(=O)c2ccccc2C1=O
• Title of publication: 2-(3-Bromopropyl)isoindoline-1,3-dione
• Authors of publication: Cheng, Peng-Fei; Wang, Chao-Jie; Wang, Yu-Xia
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 11
• Pages of publication: o2646
• a: 4.8413 ± 0.0007 Å
• b: 7.3401 ± 0.0011 Å
• c: 15.095 ± 0.002 Å
• α: 90°
• β: 91.729 ± 0.003°
• γ: 90°
• Cell volume: 536.17 ± 0.13 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0334
• Residual factor for significantly intense reflections: 0.0255
• Weighted residual factors for significantly intense reflections: 0.0574
• Weighted residual factors for all reflections included in the refinement: 0.0602
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes