Information card for entry 2207055
Chemical name |
N-Pyridin-3-ylmethylene-N-[5-(pyridine-3-ylmethyl sulfanyl)-[1,3,4]thiadiazol-2-yl]-hydrazine' |
Formula |
C14 H12 N6 S2 |
Calculated formula |
C14 H12 N6 S2 |
SMILES |
S(Cc1cnccc1)c1sc(nn1)N/N=C/c1cccnc1 |
Title of publication |
<i>N</i>-(3-Pyridylmethylene)-<i>N</i>'-[5-(3-pyridylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]hydrazine |
Authors of publication |
Khoo, Teng-Jin; Cowley, Andrew R.; Watkin, David J.; Tahir, M. Ibrahim M.; Crouse, Karen A. |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2005 |
Journal volume |
61 |
Journal issue |
10 |
Pages of publication |
o3414 - o3415 |
a |
4.5955 ± 0.0002 Å |
b |
11.4301 ± 0.0004 Å |
c |
14.8292 ± 0.0006 Å |
α |
74.1696 ± 0.0012° |
β |
83.0827 ± 0.0014° |
γ |
80.8197 ± 0.0013° |
Cell volume |
737.36 ± 0.05 Å3 |
Cell temperature |
150 K |
Ambient diffraction temperature |
150 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 |
0.0795 |
Residual factor for significantly intense reflections |
0.0434 |
Weighted residual factors for all reflections |
0.0599 |
Weighted residual factors for significantly intense reflections |
0.0493 |
Weighted residual factors for all reflections included in the refinement |
0.0493 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.0733 |
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/2207055.html