Information card for entry 2220946
Chemical name |
2-Benzoylamino-<i>N</i>-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]ethanamide |
Formula |
C17 H13 Br N4 O2 S |
Calculated formula |
C17 H13 Br N4 O2 S |
SMILES |
Brc1ccc(c2sc(nn2)NC(=O)CNC(=O)c2ccccc2)cc1 |
Title of publication |
2-Benzoylamino-<i>N</i>-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]ethanamide |
Authors of publication |
Huang, Hui-Ming; Luo, Shi-Yuan; Li, Shao-Hua; Liu, Cheng-Mei; Tu, Guo-Gang |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2009 |
Journal volume |
65 |
Journal issue |
2 |
Pages of publication |
o325 |
a |
4.02 ± 0.004 Å |
b |
13.706 ± 0.009 Å |
c |
16.21 ± 0.005 Å |
α |
113.334 ± 0.017° |
β |
94.018 ± 0.019° |
γ |
92.78 ± 0.02° |
Cell volume |
815.2 ± 1 Å3 |
Cell temperature |
298 ± 2 K |
Ambient diffraction temperature |
298 ± 2 K |
Number of distinct elements |
6 |
Space group number |
2 |
Hermann-Mauguin space group symbol |
P -1 |
Hall space group symbol |
-P 1 |
Residual factor for all reflections |
0.1664 |
Residual factor for significantly intense reflections |
0.1093 |
Weighted residual factors for significantly intense reflections |
0.2622 |
Weighted residual factors for all reflections included in the refinement |
0.2812 |
Goodness-of-fit parameter for all reflections included in the refinement |
0.815 |
Diffraction radiation wavelength |
0.71073 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
Yes |
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The link is:
https://www.crystallography.net/2220946.html