Information card for entry 2215453
Chemical name |
1,2-Di-2-pyridyl-1,2-bis(1,3,4-thiadiazol-2-ylamino)ethane |
Formula |
C16 H12 N8 S2 |
Calculated formula |
C16 H12 N8 S2 |
SMILES |
c1ccc(nc1)C(=C(c1ccccn1)\Nc1nncs1)/Nc1nncs1 |
Title of publication |
1,2-Di-2-pyridyl-1,2-bis(1,3,4-thiadiazol-2-ylamino)ethane |
Authors of publication |
Zhang, Yu-Xia; Li, Yu-Ling |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2007 |
Journal volume |
63 |
Journal issue |
10 |
Pages of publication |
o4179 - o4179 |
a |
5.472 ± 0.0011 Å |
b |
7.9623 ± 0.0016 Å |
c |
9.7363 ± 0.0019 Å |
α |
91.01 ± 0.03° |
β |
93.96 ± 0.03° |
γ |
105.57 ± 0.03° |
Cell volume |
407.38 ± 0.15 Å3 |
Cell temperature |
153 ± 2 K |
Ambient diffraction temperature |
153 ± 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 |
0.0594 |
Residual factor for significantly intense reflections |
0.0366 |
Weighted residual factors for significantly intense reflections |
0.0886 |
Weighted residual factors for all reflections included in the refinement |
0.1007 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.02 |
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/2215453.html