Information card for entry 2230729
Chemical name |
3-Amino-4-[4-(dimethylamino)phenyl]-4,5-dihydro-1,2,5-thiadiazole 1,1-dioxide |
Formula |
C10 H14 N4 O2 S |
Calculated formula |
C10 H14 N4 O2 S |
SMILES |
C1(=NS(=O)(=O)NC1c1ccc(cc1)N(C)C)N |
Title of publication |
3-Amino-4-[4-(dimethylamino)phenyl]-4,5-dihydro-1,2,5-thiadiazole 1,1-dioxide |
Authors of publication |
Arslan, N. Burcu; Ertürk, Aliye Gediz; Kazak, Canan; Bekdemir, Yunus |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2011 |
Journal volume |
67 |
Journal issue |
7 |
Pages of publication |
o1736 |
a |
7.2587 ± 0.0008 Å |
b |
9.8187 ± 0.0008 Å |
c |
16.893 ± 0.002 Å |
α |
90° |
β |
101.325 ± 0.01° |
γ |
90° |
Cell volume |
1180.5 ± 0.2 Å3 |
Cell temperature |
293 ± 2 K |
Ambient diffraction temperature |
293 ± 2 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 |
0.043 |
Residual factor for significantly intense reflections |
0.0377 |
Weighted residual factors for significantly intense reflections |
0.1062 |
Weighted residual factors for all reflections included in the refinement |
0.1093 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.064 |
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/2230729.html