Information card for entry 2233901
Common name |
5,5'-[1,4-Phenylenebis(methylenesulfanediyl)]bis[1,3,4-thiadiazol- 2(3<i>H</i>)-one] dimethyl sulfoxide disolvate |
Chemical name |
5-({4-[(5-oxo-4,5-dihydro-1,3,4-thiadiazol-2-yl)methyl]phenyl}methyl)- 2,3-dihydro-1,3,4-thiadiazol-2-one dimethyl sulfoxide disolvate |
Formula |
C16 H22 N4 O4 S6 |
Calculated formula |
C16 H22 N4 O4 S6 |
Title of publication |
5,5'-[1,4-Phenylenebis(methylenesulfanediyl)]bis[1,3,4-thiadiazol-2(3<i>H</i>)-one] dimethyl sulfoxide disolvate |
Authors of publication |
Kang, Sung Kwon; Cho, Nam Sook; Jang, Siyoung |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2012 |
Journal volume |
68 |
Journal issue |
3 |
Pages of publication |
o781 |
a |
7.5723 ± 0.0015 Å |
b |
8.3258 ± 0.0017 Å |
c |
10.346 ± 0.002 Å |
α |
109.7 ± 0.04° |
β |
95.74 ± 0.03° |
γ |
91.15 ± 0.03° |
Cell volume |
610 ± 0.3 Å3 |
Cell temperature |
296 ± 2 K |
Ambient diffraction temperature |
296 ± 2 K |
Number of distinct elements |
5 |
Space group number |
2 |
Hermann-Mauguin space group symbol |
P -1 |
Hall space group symbol |
-P 1 |
Residual factor for all reflections |
0.05 |
Residual factor for significantly intense reflections |
0.0337 |
Weighted residual factors for all reflections included in the refinement |
0.0996 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.023 |
Diffraction radiation wavelength |
0.71073 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
Yes |
Has Fobs |
Yes |
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https://www.crystallography.net/2233901.html