Information card for entry 2213087
Chemical name |
4,6-Dimethyl-2-thioxo-1,2-dihydropyridine-3-carbonitrile |
Formula |
C8 H8 N2 S |
Calculated formula |
C8 H8 N2 S |
Title of publication |
4,6-Dimethyl-2-thioxo-1,2-dihydropyridine-3-carbonitrile |
Authors of publication |
Eyduran, Fatih; Özyürek, Cengiz; Dilek, Nefise; Ocak Iskeleli, Nazan; Şendil, Kıvılcım |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2007 |
Journal volume |
63 |
Journal issue |
5 |
Pages of publication |
o2415 - o2417 |
a |
7.6526 ± 0.0006 Å |
b |
8.4577 ± 0.0004 Å |
c |
13.7386 ± 0.0011 Å |
α |
90° |
β |
113.185 ± 0.006° |
γ |
90° |
Cell volume |
817.39 ± 0.11 Å3 |
Cell temperature |
293 ± 2 K |
Ambient diffraction temperature |
293 ± 2 K |
Number of distinct elements |
4 |
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 |
0.0335 |
Residual factor for significantly intense reflections |
0.0296 |
Weighted residual factors for significantly intense reflections |
0.0826 |
Weighted residual factors for all reflections included in the refinement |
0.0847 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.057 |
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/2213087.html