Information card for entry 2212261

Structure parameters

• Chemical name: 2-[2,3-Bis(bromomethyl)-4-methoxyphenyl]-2,3-dihydro-1H-isoindole-1,3-dione
• Formula: C17 H13 Br2 N O3
• Calculated formula: C17 H13 Br2 N O3
• SMILES: BrCc1c(ccc(c1CBr)OC)N1C(=O)c2ccccc2C1=O
• Title of publication: 2-[2,3-Bis(bromomethyl)-4-methoxyphenyl]-2,3-dihydro-1<i>H</i>-isoindole-1,3-dione
• Authors of publication: Neng-Fang She; Yu-Jie Ding; Shuai Wang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 2
• Pages of publication: o925 - o926
• a: 8.7439 ± 0.0011 Å
• b: 8.7491 ± 0.0012 Å
• c: 11.0206 ± 0.0015 Å
• α: 83.426 ± 0.002°
• β: 86.704 ± 0.002°
• γ: 80.736 ± 0.002°
• Cell volume: 825.97 ± 0.19 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0579
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.1228
• Weighted residual factors for all reflections included in the refinement: 0.128
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes