Information card for entry 7230682
| Formula |
C17 H17 Br N4 O |
| Calculated formula |
C17 H17 Br N4 O |
| Title of publication |
Choice of hydrogen bonds or halogen bonds by 2-halogenated 5-morpholinomethylphenyl triazolo[1,5-a]pyridine |
| Authors of publication |
Li, Changfu; Chai, Yingying; Zhou, Xinglong; Shen, Zhen; Ma, Beibei; Chen, Bojiang; Huang, Ridong; Chen, Hai; Li, Weimin; He, Yang |
| Journal of publication |
CrystEngComm |
| Year of publication |
2018 |
| Journal volume |
20 |
| Journal issue |
22 |
| Pages of publication |
3006 |
| a |
10.119 ± 0.004 Å |
| b |
13.63 ± 0.006 Å |
| c |
25.37 ± 0.009 Å |
| α |
97.424 ± 0.01° |
| β |
95.257 ± 0.01° |
| γ |
109.834 ± 0.01° |
| Cell volume |
3229 ± 2 Å3 |
| Cell temperature |
170 K |
| Ambient diffraction temperature |
170 K |
| Number of distinct elements |
5 |
| Space group number |
2 |
| Hermann-Mauguin space group symbol |
P -1 |
| Hall space group symbol |
-P 1 |
| Residual factor for all reflections |
0.1191 |
| Residual factor for significantly intense reflections |
0.0778 |
| Weighted residual factors for significantly intense reflections |
0.1969 |
| Weighted residual factors for all reflections included in the refinement |
0.2229 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.03 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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https://www.crystallography.net/7230682.html
