Information card for entry 2222115
Chemical name |
6-Bromo-3,3-dichloro-1-methyl-1<i>H</i>-2,1-benzothiazin-4(3<i>H</i>)-one 2,2-dioxide |
Formula |
C9 H6 Br Cl2 N O3 S |
Calculated formula |
C9 H6 Br Cl2 N O3 S |
SMILES |
Brc1cc2c(N(S(=O)(=O)C(Cl)(Cl)C2=O)C)cc1 |
Title of publication |
6-Bromo-3,3-dichloro-1-methyl-1<i>H</i>-2,1-benzothiazin-4(3<i>H</i>)-one 2,2-dioxide |
Authors of publication |
Shafiq, Muhammad; Tahir, M. Nawaz; Khan, Islam Ullah; Arshad, Muhammad Nadeem; Haider, Zeeshan |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2009 |
Journal volume |
65 |
Journal issue |
6 |
Pages of publication |
o1413 |
a |
7.0285 ± 0.0009 Å |
b |
14.865 ± 0.002 Å |
c |
11.9739 ± 0.0018 Å |
α |
90° |
β |
92.418 ± 0.005° |
γ |
90° |
Cell volume |
1249.9 ± 0.3 Å3 |
Cell temperature |
296 ± 2 K |
Ambient diffraction temperature |
296 ± 2 K |
Number of distinct elements |
7 |
Space group number |
14 |
Hermann-Mauguin space group symbol |
P 1 21/n 1 |
Hall space group symbol |
-P 2yn |
Residual factor for all reflections |
0.1147 |
Residual factor for significantly intense reflections |
0.082 |
Weighted residual factors for significantly intense reflections |
0.224 |
Weighted residual factors for all reflections included in the refinement |
0.2494 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.091 |
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/2222115.html