Information card for entry 2008040
| Chemical name |
4-hydroxy-2-methyl-N-(5-methyl-2-thiazole)-2H-1,2-benzothiazine-3 -carboxamide 1,1-dioxide |
| Formula |
C14 H13 N3 O4 S2 |
| Calculated formula |
C14 H13 N3 O4 S2 |
| SMILES |
S1(=O)(=O)N(C(=C(O)c2c1cccc2)C(=O)Nc1sc(cn1)C)C |
| Title of publication |
4-Hydroxy-2-methyl-<i>N</i>-(5-methyl-1,3-thiazol-2-yl)-2<i>H</i>-1,2-benzothiazine-3-carboxamide 1,1-Dioxide |
| Authors of publication |
Fabiola, G. Felcy; Pattabhi, Vasantha; Manjunatha, S. G.; Venkateshwar Rao, G.; Nagarajan, K. |
| Journal of publication |
Acta Crystallographica Section C |
| Year of publication |
1998 |
| Journal volume |
54 |
| Journal issue |
12 |
| Pages of publication |
2001 - 2003 |
| a |
6.996 ± 0.001 Å |
| b |
8.106 ± 0.001 Å |
| c |
13.602 ± 0.001 Å |
| α |
85.68 ± 0.01° |
| β |
88.36 ± 0.01° |
| γ |
74.88 ± 0.01° |
| Cell volume |
742.51 ± 0.15 Å3 |
| Cell temperature |
293 ± 2 K |
| Ambient diffraction temperature |
293 ± 2 K |
| Number of distinct elements |
5 |
| Space group number |
2 |
| Hermann-Mauguin space group symbol |
P -1 |
| Hall space group symbol |
-P 1 |
| Residual factor for all reflections |
0.042 |
| Residual factor for significantly intense reflections |
0.035 |
| Weighted residual factors for all reflections |
0.1 |
| Weighted residual factors for significantly intense reflections |
0.089 |
| Goodness-of-fit parameter for all reflections |
1.061 |
| Goodness-of-fit parameter for significantly intense reflections |
1.029 |
| Diffraction radiation wavelength |
1.5418 Å |
| Diffraction radiation type |
CuKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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The link is:
https://www.crystallography.net/2008040.html
