Information card for entry 7130710
| Formula |
C13 H21 N S |
| Calculated formula |
C13 H21 N S |
| Title of publication |
Preparation of thioamides from alkyl bromides, nitriles, and hydrogen sulfide through a thio-Ritter-type reaction |
| Authors of publication |
Tang, Shi-Zhong; Xiang, Kai; Ye, Rui; Chen, Meng-En; Yu, Jian-Chang; He, Zhi-Juan; Zhang, Fu-Min |
| Journal of publication |
Chemical Communications |
| Year of publication |
2022 |
| a |
11.16255 ± 0.00017 Å |
| b |
10.98512 ± 0.00017 Å |
| c |
10.23216 ± 0.00013 Å |
| α |
90° |
| β |
94.9987 ± 0.0013° |
| γ |
90° |
| Cell volume |
1249.92 ± 0.03 Å3 |
| Cell temperature |
149.99 ± 0.1 K |
| Ambient diffraction temperature |
149.99 ± 0.1 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 |
0.052 |
| Residual factor for significantly intense reflections |
0.0499 |
| Weighted residual factors for significantly intense reflections |
0.1359 |
| Weighted residual factors for all reflections included in the refinement |
0.1377 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.076 |
| Diffraction radiation probe |
x-ray |
| Diffraction radiation wavelength |
1.54184 Å |
| Diffraction radiation type |
CuKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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https://www.crystallography.net/7130710.html
