Information card for entry 2236413
Chemical name |
6-Bromo-4-[2-(4-fluorobenzylidene)hydrazin-1-ylidene]-1-methyl-3,4-dihydro-1<i>H</i>-2λ^6^,1-benzothiazine-2,2-dione |
Formula |
C16 H13 Br F N3 O2 S |
Calculated formula |
C16 H13 Br F N3 O2 S |
SMILES |
c12ccc(cc1C(CS(=O)(=O)N2C)=NN=Cc1ccc(cc1)F)Br |
Title of publication |
6-Bromo-4-[2-(4-fluorobenzylidene)hydrazin-1-ylidene]-1-methyl-3,4-dihydro-1<i>H</i>-2λ^6^,1-benzothiazine-2,2-dione |
Authors of publication |
Shafiq, Muhammad; Khan, Islam Ullah; Harrison, William T. A.; Hussain, Ajaz; Ashraf, Hina |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2012 |
Journal volume |
68 |
Journal issue |
10 |
Pages of publication |
o2851 |
a |
7.8996 ± 0.0004 Å |
b |
9.007 ± 0.0004 Å |
c |
13.5057 ± 0.0007 Å |
α |
104.176 ± 0.003° |
β |
90.977 ± 0.003° |
γ |
113.466 ± 0.003° |
Cell volume |
847.52 ± 0.08 Å3 |
Cell temperature |
296 ± 2 K |
Ambient diffraction temperature |
296 ± 2 K |
Number of distinct elements |
7 |
Space group number |
2 |
Hermann-Mauguin space group symbol |
P -1 |
Hall space group symbol |
-P 1 |
Residual factor for all reflections |
0.1039 |
Residual factor for significantly intense reflections |
0.0427 |
Weighted residual factors for significantly intense reflections |
0.0955 |
Weighted residual factors for all reflections included in the refinement |
0.1182 |
Goodness-of-fit parameter for all reflections included in the refinement |
0.993 |
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/2236413.html