Information card for entry 2222999

Structure parameters

• Chemical name: (<i>E</i>)-5-Bromo-3-(2,6-dichlorobenzylidene)indolin-2-one
• Formula: C15 H8 Br Cl2 N O
• Calculated formula: C15 H8 Br Cl2 N O
• SMILES: Brc1ccc2c(c1)/C(=C\c1c(Cl)cccc1Cl)C(=O)N2
• Title of publication: (<i>E</i>)-5-Bromo-3-(2,6-dichlorobenzylidene)indolin-2-one
• Authors of publication: Zhang, Hongming; Ankati, Haribabu; Akubathini, Shashidhar Kumar; Biehl, Ed
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 9
• Pages of publication: o2217
• a: 8.1018 ± 0.0004 Å
• b: 13.5726 ± 0.0007 Å
• c: 14.4904 ± 0.0007 Å
• α: 63.575 ± 0.001°
• β: 82.956 ± 0.001°
• γ: 80.139 ± 0.001°
• Cell volume: 1403.89 ± 0.12 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.053
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.093
• Weighted residual factors for all reflections included in the refinement: 0.1
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes