Information card for entry 2019667

Structure parameters

• Common name: Methyl parathion
• Chemical name: Dimethyl 4-nitrophenyl phosphorothioate
• Formula: C8 H10 N O5 P S
• Calculated formula: C8 H10 N O5 P S
• Title of publication: Two organophosphorus pesticides: methyl parathion and dicapthon
• Authors of publication: Baughman, Russell G.; Hall, Gabriel B.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 10
• Pages of publication: 975 - 977
• a: 7.0232 ± 0.0003 Å
• b: 21.1563 ± 0.0008 Å
• c: 7.9679 ± 0.0003 Å
• α: 90°
• β: 104.428 ± 0.0004°
• γ: 90°
• Cell volume: 1146.57 ± 0.08 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 6
• 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: 0.0263
• Residual factor for significantly intense reflections: 0.0251
• Weighted residual factors for significantly intense reflections: 0.067
• Weighted residual factors for all reflections included in the refinement: 0.0678
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No