Information card for entry 7131880
Formula |
C7 H14 N2 O3 S |
Calculated formula |
C7 H14 N2 O3 S |
SMILES |
S1(=O)(=O)NCCCC(=O)N(CC1)C |
Title of publication |
Reductive cleavage of annulated 5,6-dihydro-2<i>H</i>-1,2,4-thiadiazine-1,1-dioxides: medium sized ring azasultams. |
Authors of publication |
Lysenko, Viacheslav; Nazarenko, Kostiantyn; Shishkina, Svitlana; Kostyuk, Aleksandr |
Journal of publication |
Chemical communications (Cambridge, England) |
Year of publication |
2023 |
a |
9.4126 ± 0.0002 Å |
b |
9.9316 ± 0.0003 Å |
c |
10.3407 ± 0.0003 Å |
α |
90° |
β |
103.903 ± 0.002° |
γ |
90° |
Cell volume |
938.35 ± 0.04 Å3 |
Cell temperature |
273.15 K |
Ambient diffraction temperature |
273.15 K |
Number of distinct elements |
5 |
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 |
0.0353 |
Residual factor for significantly intense reflections |
0.0321 |
Weighted residual factors for significantly intense reflections |
0.0844 |
Weighted residual factors for all reflections included in the refinement |
0.0865 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.07 |
Diffraction radiation wavelength |
0.71073 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
No |
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The link is:
https://www.crystallography.net/7131880.html