Information card for entry 2238463

Structure parameters

• Common name: Bifenox
• Chemical name: Methyl 5-(2,4-dichlorophenoxy)-2-nitrobenzoate
• Formula: C14 H9 Cl2 N O5
• Calculated formula: C14 H9 Cl2 N O5
• SMILES: Clc1cc(Cl)c(Oc2ccc(N(=O)=O)c(c2)C(=O)OC)cc1
• Title of publication: Bifenox: methyl 5-(2,4-dichlorophenoxy)-2-nitrobenzoate
• Authors of publication: Jeon, Youngeun; Kim, Jineun; Cho, Seonghwa; Kim, Tae Ho
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 8
• Pages of publication: o1206
• a: 8.4945 ± 0.0007 Å
• b: 9.961 ± 0.0008 Å
• c: 10.3969 ± 0.0008 Å
• α: 64.601 ± 0.001°
• β: 68.72 ± 0.001°
• γ: 70.421 ± 0.001°
• Cell volume: 723.48 ± 0.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0653
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.092
• Weighted residual factors for all reflections included in the refinement: 0.0975
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes