Information card for entry 2233570
Chemical name |
2-(3,4-Dimethyl-5,5-dioxo-2<i>H</i>,4<i>H</i>-pyrazolo[4,3- <i>c</i>][1,2]benzothiazin-2-yl)-1-(4-methoxyphenyl)ethanone |
Formula |
C20 H19 N3 O4 S |
Calculated formula |
C20 H19 N3 O4 S |
SMILES |
S1(=O)(=O)N(c2c(nn(c2C)CC(=O)c2ccc(OC)cc2)c2ccccc12)C |
Title of publication |
2-(3,4-Dimethyl-5,5-dioxo-2<i>H</i>,4<i>H</i>-pyrazolo[4,3-<i>c</i>][1,2]benzothiazin-2-yl)-1-(4-methoxyphenyl)ethanone |
Authors of publication |
Aslam, Sana; Siddiqui, Hamid Latif; Ahmad, Matloob; Hussain, Tanvir; Parvez, Masood |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2012 |
Journal volume |
68 |
Journal issue |
2 |
Pages of publication |
o458 - o459 |
a |
13.862 ± 0.005 Å |
b |
8.079 ± 0.002 Å |
c |
17.748 ± 0.007 Å |
α |
90° |
β |
108.372 ± 0.018° |
γ |
90° |
Cell volume |
1886.3 ± 1.1 Å3 |
Cell temperature |
173 ± 2 K |
Ambient diffraction temperature |
173 ± 2 K |
Number of distinct elements |
5 |
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 |
0.0899 |
Residual factor for significantly intense reflections |
0.0626 |
Weighted residual factors for significantly intense reflections |
0.1161 |
Weighted residual factors for all reflections included in the refinement |
0.1323 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.146 |
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/2233570.html