Information card for entry 2242278
Common name |
penoxsulam |
Chemical name |
2-(2,2-Difluoroethoxy)-<i>N</i>-(5,8-dimethoxy-1,2,4-triazolo[1,5-<i>c</i>]pyrimidin-2-yl)-6-(trifluoromethyl)benzenesulfonamide |
Formula |
C16 H14 F5 N5 O5 S |
Calculated formula |
C16 H14 F5 N5 O5 S |
SMILES |
S(=O)(=O)(Nc1nc2n(n1)c(OC)ncc2OC)c1c(OCC(F)F)cccc1C(F)(F)F |
Title of publication |
Crystal structure of penoxsulam |
Authors of publication |
Park, Hyunjin; Kim, Jineun; Chiang, Hojae; Kim, Tae Ho |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2017 |
Journal volume |
73 |
Journal issue |
9 |
Pages of publication |
1312 - 1315 |
a |
8.1945 ± 0.0003 Å |
b |
8.3733 ± 0.0003 Å |
c |
28.3277 ± 0.0009 Å |
α |
82.698 ± 0.002° |
β |
84.183 ± 0.002° |
γ |
81.814 ± 0.002° |
Cell volume |
1901.42 ± 0.12 Å3 |
Cell temperature |
173 ± 2 K |
Ambient diffraction temperature |
173 ± 2 K |
Number of distinct elements |
6 |
Space group number |
2 |
Hermann-Mauguin space group symbol |
P -1 |
Hall space group symbol |
-P 1 |
Residual factor for all reflections |
0.0541 |
Residual factor for significantly intense reflections |
0.044 |
Weighted residual factors for significantly intense reflections |
0.1014 |
Weighted residual factors for all reflections included in the refinement |
0.1058 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.045 |
Diffraction radiation wavelength |
0.71073 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
Yes |
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https://www.crystallography.net/2242278.html