Information card for entry 7055413
| Formula |
C17 H16 N4 O4 S |
| Calculated formula |
C17 H16 N4 O4 S |
| SMILES |
c1(ccc(cc1N=Nc1ccc(cc1)S(=O)(=O)Nc1cc(C)on1)C)O |
| Title of publication |
The structural characterization and biological activity of sulfamethoxazolyl-azo-p-cresol, its copper(ii) complex and their theoretical studies |
| Authors of publication |
Sahu, Nilima; Das, Dipankar; Mondal, Sudipa; Roy, Suman; Dutta, Paramita; Sepay, Nayim; Gupta, Suvroma; López-Torres, Elena; Sinha, Chittaranjan |
| Journal of publication |
New J. Chem. |
| Year of publication |
2016 |
| Journal volume |
40 |
| Journal issue |
6 |
| Pages of publication |
5019 |
| a |
29.8607 ± 0.0016 Å |
| b |
6.3552 ± 0.0004 Å |
| c |
17.473 ± 0.0011 Å |
| α |
90° |
| β |
95.254 ± 0.003° |
| γ |
90° |
| Cell volume |
3301.9 ± 0.3 Å3 |
| Cell temperature |
296 ± 2 K |
| Ambient diffraction temperature |
296 ± 2 K |
| Number of distinct elements |
5 |
| Space group number |
15 |
| Hermann-Mauguin space group symbol |
C 1 2/c 1 |
| Hall space group symbol |
-C 2yc |
| Residual factor for all reflections |
0.0539 |
| Residual factor for significantly intense reflections |
0.0397 |
| Weighted residual factors for significantly intense reflections |
0.1013 |
| Weighted residual factors for all reflections included in the refinement |
0.1139 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.055 |
| 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/7055413.html
