Information card for entry 2210264
Chemical name |
(4-Bromophenyl)(5-dimethylamino-1,1-dioxo-2-phenyl-1,2-dihydro- 1λ^6^,2,4,6-thiatriazin-3-yl)methanone |
Formula |
C17 H15 Br N4 O3 S |
Calculated formula |
C17 H15 Br N4 O3 S |
SMILES |
Brc1ccc(C(=O)C2=NC(=NS(=O)(=O)N2c2ccccc2)N(C)C)cc1 |
Title of publication |
(4-Bromophenyl)(5-dimethylamino-1,1-dioxo-2-phenyl-1,2-dihydro-1λ^6^,2,4,6-thiatriazin-3-yl)methanone |
Authors of publication |
Duggan, Peter J.; Forsyth, Craig M.; Liepa, Andris J.; Tranberg, C. Elisabet; Warden, Andrew C. |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2006 |
Journal volume |
62 |
Journal issue |
9 |
Pages of publication |
o3794 - o3796 |
a |
23.4478 ± 0.0003 Å |
b |
10.0971 ± 0.0002 Å |
c |
15.2847 ± 0.0002 Å |
α |
90° |
β |
101.518 ± 0.001° |
γ |
90° |
Cell volume |
3545.85 ± 0.1 Å3 |
Cell temperature |
123 ± 2 K |
Number of distinct elements |
6 |
Space group number |
15 |
Hermann-Mauguin space group symbol |
C 1 2/c 1 |
Hall space group symbol |
-C 2yc |
Residual factor for significantly intense reflections |
0.0345 |
Weighted residual factors for all reflections included in the refinement |
0.0866 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.045 |
Diffraction radiation wavelength |
0.71073 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
Yes |
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