Information card for entry 2204774
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 Å3 |
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 |
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The link is:
https://www.crystallography.net/2204774.html