Information card for entry 2213659

Structure parameters

• Chemical name: 2-(3,5-Dibromo-2-hydroxybenzylideneamino)isoindole-1,3-dione
• Formula: C15 H8 Br2 N2 O3
• Calculated formula: C15 H8 Br2 N2 O3
• SMILES: Brc1cc(c(O)c(Br)c1)/C=N/N1C(=O)c2ccccc2C1=O
• Title of publication: 2-(3,5-Dibromo-2-hydroxybenzylideneamino)isoindole-1,3-dione
• Authors of publication: Jing, Zuo-Liang; Li, Rui-Ning; Zhai, Jia-Qi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 6
• Pages of publication: o3002 - o3002
• a: 16.8495 ± 0.0009 Å
• b: 7.232 ± 0.0003 Å
• c: 23.3405 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2844.2 ± 0.2 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0624
• Residual factor for significantly intense reflections: 0.0593
• Weighted residual factors for significantly intense reflections: 0.1249
• Weighted residual factors for all reflections included in the refinement: 0.1263
• Goodness-of-fit parameter for all reflections included in the refinement: 1.201
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes