Information card for entry 2238517

Structure parameters

• Common name: Fluazinam
• Chemical name: 3-Chloro-<i>N</i>-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-2,6-dinitro-4-(trifluoromethyl)aniline
• Formula: C13 H4 Cl2 F6 N4 O4
• Calculated formula: C13 H4 Cl2 F6 N4 O4
• SMILES: Clc1c(C(F)(F)F)cc(N(=O)=O)c(Nc2ncc(cc2Cl)C(F)(F)F)c1N(=O)=O
• Title of publication: Fluazinam
• Authors of publication: Jeon, Youngeun; Kim, Jineun; Lee, Sangjin; Kim, Tae Ho
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 9
• Pages of publication: o1467
• a: 8.9546 ± 0.0001 Å
• b: 9.0724 ± 0.0001 Å
• c: 10.6818 ± 0.0002 Å
• α: 79.556 ± 0.001°
• β: 75.42 ± 0.001°
• γ: 83.451 ± 0.001°
• Cell volume: 823.79 ± 0.02 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0364
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for significantly intense reflections: 0.0815
• Weighted residual factors for all reflections included in the refinement: 0.0845
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes