Information card for entry 2241031
Chemical name |
2,2,2-Tribromo-<i>N</i>-[3-(trifluoromethyl)phenyl]acetamide |
Formula |
C9 H5 Br3 F3 N O |
Calculated formula |
C9 H5 Br3 F3 N O |
SMILES |
BrC(Br)(Br)C(=O)Nc1cc(ccc1)C(F)(F)F |
Title of publication |
Crystal structures of three <i>N</i>-aryl-2,2,2-tribromoacetamides |
Authors of publication |
Sreenivasa, S.; Naveen, S.; Lokanath, N. K.; Supriya, G. M.; Lakshmikantha, H. N.; Suchetan, P. A. |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2015 |
Journal volume |
71 |
Journal issue |
9 |
Pages of publication |
1048 - 1053 |
a |
11.3441 ± 0.0006 Å |
b |
10.3047 ± 0.0006 Å |
c |
20.6397 ± 0.0011 Å |
α |
90° |
β |
90° |
γ |
90° |
Cell volume |
2412.7 ± 0.2 Å3 |
Cell temperature |
100 ± 2 K |
Ambient diffraction temperature |
100 ± 2 K |
Number of distinct elements |
6 |
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 |
0.0398 |
Residual factor for significantly intense reflections |
0.0395 |
Weighted residual factors for significantly intense reflections |
0.1016 |
Weighted residual factors for all reflections included in the refinement |
0.102 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.219 |
Diffraction radiation wavelength |
1.54178 Å |
Diffraction radiation type |
CuKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
Yes |
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https://www.crystallography.net/2241031.html