Information card for entry 7152948

Structure parameters

• Chemical name: 3-bromo-N-(2-(3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl)-4 -chloro-6-methylphenyl)-1-(3-chloropyridin-2-yl)-1H-pyrazole -5-carboxamide
• Formula: C24 H14 Br2 Cl2 N6 O2
• Calculated formula: C24 H14 Br2 Cl2 N6 O2
• SMILES: Brc1nn(c2c(Cl)cccn2)c(c1)C(=O)Nc1c(cc(Cl)cc1C)c1onc(n1)c1ccc(Br)cc1
• Title of publication: Synthesis, insecticidal activity, and structure-activity relationship (SAR) of anthranilic diamides analogs containing oxadiazole rings.
• Authors of publication: Li, Yuhao; Zhu, Hongjun; Chen, Kai; Liu, Rui; Khallaf, Abdalla; Zhang, Xiangning; Ni, Jueping
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2013
• Journal volume: 11
• Journal issue: 24
• Pages of publication: 3979 - 3988
• a: 9.229 ± 0.0018 Å
• b: 11.142 ± 0.002 Å
• c: 12.526 ± 0.003 Å
• α: 76.53 ± 0.03°
• β: 80.97 ± 0.03°
• γ: 86.17 ± 0.03°
• Cell volume: 1236.5 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1293
• Residual factor for significantly intense reflections: 0.0657
• Weighted residual factors for significantly intense reflections: 0.149
• Weighted residual factors for all reflections included in the refinement: 0.1713
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No