Information card for entry 2205054
Chemical name |
N,N'-Diphenyl-2,2'-(1,3,4-thiadiazolyl-2,5-dithio)diacetamide |
Formula |
C18 H16 N4 O2 S3 |
Calculated formula |
C18 H16 N4 O2 S3 |
SMILES |
S(CC(=O)Nc1ccccc1)c1sc(SCC(=O)Nc2ccccc2)nn1 |
Title of publication |
<i>N</i>,<i>N</i>'-Diphenyl-2,2'-(1,3,4-thiadiazolyl-2,5-dithio)diacetamide |
Authors of publication |
Yong-Hong Wen; Shu-Sheng Zhang; Bao-Hui Yu; Xue-Mei Li; Qing Liu |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2005 |
Journal volume |
61 |
Journal issue |
2 |
Pages of publication |
o347 - o348 |
a |
20.6438 ± 0.0019 Å |
b |
5.3153 ± 0.0005 Å |
c |
16.7247 ± 0.0015 Å |
α |
90° |
β |
97.039 ± 0.002° |
γ |
90° |
Cell volume |
1821.3 ± 0.3 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 |
0.0493 |
Residual factor for significantly intense reflections |
0.039 |
Weighted residual factors for significantly intense reflections |
0.0951 |
Weighted residual factors for all reflections included in the refinement |
0.1017 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.046 |
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/2205054.html