Information card for entry 2203244

Structure parameters

• Chemical name: 1-(2,4-Dichlorophenyl)-2-phthalimidoethanone
• Formula: C16 H9 Cl2 N O3
• Calculated formula: C16 H9 Cl2 N O3
• SMILES: Clc1cc(Cl)c(cc1)C(=O)CN1C(=O)c2c(C1=O)cccc2
• Title of publication: 1-(2,4-Dichlorophenyl)-2-phthalimidoethanone
• Authors of publication: Zhang, Xingguo; Zhong, Ping; Hu, Maolin; Xiao, Hongping
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 2
• Pages of publication: o297 - o298
• a: 12.9211 ± 0.0005 Å
• b: 14.0305 ± 0.0005 Å
• c: 8.0488 ± 0.0003 Å
• α: 90°
• β: 99.341 ± 0.002°
• γ: 90°
• Cell volume: 1439.81 ± 0.09 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0425
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for significantly intense reflections: 0.1075
• Weighted residual factors for all reflections included in the refinement: 0.1108
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes