Information card for entry 2220418

Structure parameters

• Chemical name: <i>N</i>-(3-Bromo-1,4-dioxo-1,4-dihydro-2-naphthyl)-2-chloro-N-(2- chlorobenzoyl)benzamide
• Formula: C24 H12 Br Cl2 N O4
• Calculated formula: C24 H12 Br Cl2 N O4
• SMILES: Clc1ccccc1C(=O)N(C(=O)c1ccccc1Cl)C1=C(Br)C(=O)c2c(C1=O)cccc2
• Title of publication: <i>N</i>-(3-Bromo-1,4-dioxo-1,4-dihydro-2-naphthyl)-2-chloro-<i>N</i>-(2-chlorobenzoyl)benzamide
• Authors of publication: Akinboye, Emmanuel S.; Butcher, Ray J.; Brandy, Yakini; Adesiyun, Tolulope A.; Bakare, Oladapo
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 1
• Pages of publication: o24
• a: 12.859 ± 0.0003 Å
• b: 7.8126 ± 0.0001 Å
• c: 21.9574 ± 0.0004 Å
• α: 90°
• β: 106.272 ± 0.002°
• γ: 90°
• Cell volume: 2117.53 ± 0.07 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1026
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.114
• Weighted residual factors for all reflections included in the refinement: 0.1227
• Goodness-of-fit parameter for all reflections included in the refinement: 0.92
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes