Information card for entry 2232755
Chemical name |
<i>N</i>,<i>N</i>-Bis(quinolin-8-yl)-2,2'-[(1,3,4-thiadiazole- 2,5-diyl)bis(sulfanediyl)]diacetamide monohydrate |
Formula |
C24 H20 N6 O3 S3 |
Calculated formula |
C24 H20 N6 O3 S3 |
SMILES |
S(c1sc(SCC(=O)Nc2c3ncccc3ccc2)nn1)CC(=O)Nc1c2ncccc2ccc1.O |
Title of publication |
<i>N</i>,<i>N</i>-Bis(quinolin-8-yl)-2,2'-[(1,3,4-thiadiazole-2,5-diyl)bis(sulfanediyl)]diacetamide monohydrate |
Authors of publication |
Li, Xiao-Feng; An, Yan; Huang, Qing-Hua; Wen, Yong-Hong |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2011 |
Journal volume |
67 |
Journal issue |
12 |
Pages of publication |
o3291 |
a |
10.8215 ± 0.0008 Å |
b |
10.2355 ± 0.0008 Å |
c |
21.551 ± 0.0016 Å |
α |
90° |
β |
90.068 ± 0.001° |
γ |
90° |
Cell volume |
2387.1 ± 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/n 1 |
Hall space group symbol |
-P 2yn |
Residual factor for all reflections |
0.0615 |
Residual factor for significantly intense reflections |
0.044 |
Weighted residual factors for significantly intense reflections |
0.0998 |
Weighted residual factors for all reflections included in the refinement |
0.1092 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.015 |
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/2232755.html