Information card for entry 2003235

Structure parameters

• Formula: C12 H16 N3 O3 P S2
• Calculated formula: C12 H22 N3 O3 P S2
• Title of publication: Organophosphorus Insecticides. 16. Azinphos Ethyl: <i>O</i>,<i>O</i>-Diethyl <i>S</i>-{[4-Oxo-1,2,3-benzotriazin-3(4<i>H</i>)-yl]methyl} Phosphorodithioate, C~12~H~16~N~3~O~3~PS~2~
• Authors of publication: Baughman, R. G.; Allen, J. L.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 3
• Pages of publication: 521 - 523
• a: 12.325 ± 0.004 Å
• b: 8.553 ± 0.003 Å
• c: 16.299 ± 0.007 Å
• α: 90°
• β: 103.39 ± 0.03°
• γ: 90°
• Cell volume: 1671.5 ± 1.1 ų
• Cell temperature: 293 K
• Number of distinct elements: 6
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.044
• Goodness-of-fit parameter for significantly intense reflections: 1.5
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No