Information card for entry 2204774

Structure parameters

• Common name: Thiamethaxam
• Chemical name: (4E)-3-[(2-Chloro-4,5-dihydro-1,3-thiazol-5-yl)methyl]-5-methyl-N-nitro- 1,3,5-oxadiazinan-4-imine
• Formula: C8 H10 Cl N5 O3 S
• Calculated formula: C8 H10 Cl N5 O3 S
• SMILES: s1c(Cl)ncc1CN1C(N(C)COC1)=NN(=O)=O
• Title of publication: (4<i>E</i>)-3-[(2-Chloro-4,5-dihydro-1,3-thiazol-5-yl)methyl]-5-methyl-<i>N</i>-nitro-1,3,5-oxadiazinan-4-imine (thiamethaxam)
• Authors of publication: Chopra, Deepak; Mohan, T. P.; Rao, K. S.; Guru Row, T. N.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 12
• Pages of publication: o2413 - o2414
• a: 6.493 ± 0.005 Å
• b: 28.74 ± 0.02 Å
• c: 6.812 ± 0.005 Å
• α: 90°
• β: 105.486 ± 0.012°
• γ: 90°
• Cell volume: 1225 ± 1.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0768
• Residual factor for significantly intense reflections: 0.0655
• Weighted residual factors for significantly intense reflections: 0.1693
• Weighted residual factors for all reflections included in the refinement: 0.1763
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes