Information card for entry 2212137
Chemical name |
5-m-Tolyl-1,3,4-thiadiazol-2-ylamine |
Formula |
C9 H9 N3 S |
Calculated formula |
C9 H9 N3 S |
SMILES |
Cc1cccc(c1)c1nnc(N)s1 |
Title of publication |
5-<i>m</i>-Tolyl-1,3,4-thiadiazol-2-ylamine |
Authors of publication |
Han, Feng; Wan, Rong; Wu, Wen-Yuan; Zhang, Jin-Jun; Wang, Jin-Tang |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2007 |
Journal volume |
63 |
Journal issue |
2 |
Pages of publication |
o717 - o718 |
a |
10.793 ± 0.002 Å |
b |
10.82 ± 0.002 Å |
c |
17.607 ± 0.004 Å |
α |
73.85 ± 0.03° |
β |
78.97 ± 0.03° |
γ |
73.51 ± 0.03° |
Cell volume |
1879.6 ± 0.8 Å3 |
Cell temperature |
293 ± 2 K |
Ambient diffraction temperature |
293 ± 2 K |
Number of distinct elements |
4 |
Space group number |
2 |
Hermann-Mauguin space group symbol |
P -1 |
Hall space group symbol |
-P 1 |
Residual factor for all reflections |
0.1271 |
Residual factor for significantly intense reflections |
0.0634 |
Weighted residual factors for significantly intense reflections |
0.1234 |
Weighted residual factors for all reflections included in the refinement |
0.15 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.016 |
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/2212137.html