Information card for entry 2222236
Chemical name |
<i>N</i>-(4-Hydroxyphenyl)-2-(1,1,3-trioxo-2,3-dihydro-1,2-benzothiazol- 2-yl)acetamide |
Formula |
C15 H12 N2 O5 S |
Calculated formula |
C15 H12 N2 O5 S |
SMILES |
S1(=O)(=O)N(C(=O)c2ccccc12)CC(=O)Nc1ccc(O)cc1 |
Title of publication |
<i>N</i>-(4-Hydroxyphenyl)-2-(1,1,3-trioxo-2,3-dihydro-1,2-benzothiazol-2-yl)acetamide |
Authors of publication |
Verma, Abha; Stevens, Edwin D. |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2009 |
Journal volume |
65 |
Journal issue |
7 |
Pages of publication |
o1667 |
a |
16.3588 ± 0.001 Å |
b |
9.6451 ± 0.0006 Å |
c |
9.9603 ± 0.0006 Å |
α |
90° |
β |
90° |
γ |
90° |
Cell volume |
1571.56 ± 0.17 Å3 |
Cell temperature |
230 ± 2 K |
Ambient diffraction temperature |
230 ± 2 K |
Number of distinct elements |
5 |
Space group number |
33 |
Hermann-Mauguin space group symbol |
P n a 21 |
Hall space group symbol |
P 2c -2n |
Residual factor for all reflections |
0.0458 |
Residual factor for significantly intense reflections |
0.0392 |
Weighted residual factors for significantly intense reflections |
0.0808 |
Weighted residual factors for all reflections included in the refinement |
0.084 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.065 |
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/2222236.html