Information card for entry 2224425
Chemical name |
3-amino-4,6-dimethylthieno[2,3-<i>b</i>]pyridine-2-carbonitrile |
Formula |
C10 H9 N3 S |
Calculated formula |
C10 H9 N3 S |
SMILES |
s1c(c(N)c2c(cc(nc12)C)C)C#N |
Title of publication |
3-Amino-4,6-dimethylthieno[2,3-<i>b</i>]pyridine-2-carbonitrile |
Authors of publication |
Zeng, Xiu-Xiu; Ye, Ting-Hong; Lun, Dong-Wen; Yu, Luo-Ting; Yang, Li |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2009 |
Journal volume |
65 |
Journal issue |
12 |
Pages of publication |
o3138 |
a |
14.562 ± 0.003 Å |
b |
8.1252 ± 0.0016 Å |
c |
16.211 ± 0.003 Å |
α |
90° |
β |
90° |
γ |
90° |
Cell volume |
1918.1 ± 0.7 Å3 |
Cell temperature |
113 ± 2 K |
Ambient diffraction temperature |
113 ± 2 K |
Number of distinct elements |
4 |
Space group number |
61 |
Hermann-Mauguin space group symbol |
P b c a |
Hall space group symbol |
-P 2ac 2ab |
Residual factor for all reflections |
0.041 |
Residual factor for significantly intense reflections |
0.0367 |
Weighted residual factors for significantly intense reflections |
0.0976 |
Weighted residual factors for all reflections included in the refinement |
0.1011 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.04 |
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/2224425.html