Information card for entry 4038729
| Formula |
C10 H8 N2 S |
| Calculated formula |
C10 H8 N2 S |
| SMILES |
S1c2nc3ccccc3n2CC1=C |
| Title of publication |
One-Pot Synthesis of Benzimidazo[2,1-b]thiazoline Derivatives through An Addition/Cyclization/Oxidative Coupling Reaction. |
| Authors of publication |
Wang, Haofeng; Wu, Xin; Wang, Luyu; Li, Erfei; Li, Xiaoyu; Tong, Tao; Kang, Honglan; Xie, Jian-Wu; Shen, Guodong; Lv, Xin |
| Journal of publication |
The Journal of organic chemistry |
| Year of publication |
2020 |
| a |
9.2794 ± 0.0005 Å |
| b |
9.3445 ± 0.0005 Å |
| c |
10.356 ± 0.0004 Å |
| α |
89.2189 ± 0.0018° |
| β |
89.7152 ± 0.0019° |
| γ |
82.646 ± 0.002° |
| Cell volume |
890.51 ± 0.08 Å3 |
| Cell temperature |
279 ± 2 K |
| Ambient diffraction temperature |
279 ± 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 |
0.0428 |
| Residual factor for significantly intense reflections |
0.0376 |
| Weighted residual factors for significantly intense reflections |
0.1027 |
| Weighted residual factors for all reflections included in the refinement |
0.1081 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.018 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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The link is:
https://www.crystallography.net/4038729.html
