Information card for entry 2204940
Chemical name |
4-Ethyl-5-(2-hydroxyphenyl)-2H-1,2,4-triazole-3(4H)-thione |
Formula |
C10 H11 N3 O S |
Calculated formula |
C10 H11 N3 O S |
SMILES |
S=C1NN=C(N1CC)c1c(O)cccc1 |
Title of publication |
4-Ethyl-5-(2-hydroxyphenyl)-2<i>H</i>-1,2,4-triazole-3(4<i>H</i>)-thione |
Authors of publication |
Dege, Necmi; Özdemir, Namık; Çetin, Ahmet; Cansız, Ahmet; Şekerci, Memet; Dinçer, Muharrem |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2005 |
Journal volume |
61 |
Journal issue |
1 |
Pages of publication |
o17 - o19 |
a |
9.7879 ± 0.0008 Å |
b |
7.9071 ± 0.0005 Å |
c |
13.8045 ± 0.001 Å |
α |
90° |
β |
102.266 ± 0.006° |
γ |
90° |
Cell volume |
1043.99 ± 0.13 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/c 1 |
Hall space group symbol |
-P 2ybc |
Residual factor for all reflections |
0.0361 |
Residual factor for significantly intense reflections |
0.0305 |
Weighted residual factors for significantly intense reflections |
0.0836 |
Weighted residual factors for all reflections included in the refinement |
0.0863 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.009 |
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/2204940.html