Information card for entry 2229440
Common name |
1,4-Bis[5-(pyridin-4-yl)-1,3,4-oxadiazol-2-ylsulfanyl]butane |
Chemical name |
4-{5-[(4-{[5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}butyl)sulfanyl]- 1,3,4-oxadiazol-2-yl}pyridine |
Formula |
C18 H16 N6 O2 S2 |
Calculated formula |
C18 H16 N6 O2 S2 |
SMILES |
C(CSc1nnc(o1)c1ccncc1)CCSc1nnc(o1)c1ccncc1 |
Title of publication |
1,4-Bis{[5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}butane |
Authors of publication |
Liu, Qing-lei; Wang, Wei; Gao, Yan; Jia, Xiao-yu; Zhang, Jing-jing |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2011 |
Journal volume |
67 |
Journal issue |
3 |
Pages of publication |
o740 |
a |
4.978 ± 0.0006 Å |
b |
5.7933 ± 0.0007 Å |
c |
31.003 ± 0.004 Å |
α |
90° |
β |
92.588 ± 0.005° |
γ |
90° |
Cell volume |
893.19 ± 0.19 Å3 |
Cell temperature |
113 ± 2 K |
Ambient diffraction temperature |
113 ± 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 |
0.0373 |
Residual factor for significantly intense reflections |
0.0322 |
Weighted residual factors for significantly intense reflections |
0.0856 |
Weighted residual factors for all reflections included in the refinement |
0.0889 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.1 |
Diffraction radiation wavelength |
0.71073 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
Yes |
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The link is:
https://www.crystallography.net/2229440.html