Information card for entry 2234350
Chemical name |
3-[Hydroxy(3-methoxyphenyl)methylidene]-2-(2-oxo-2-phenylethyl)- 3,4-dihydro-2<i>H</i>-1λ^6^,2-benzothiazine-1,1,4-trione |
Formula |
C24 H19 N O6 S |
Calculated formula |
C24 H19 N O6 S |
SMILES |
S1(=O)(=O)N(/C(=C(O)\c2cc(OC)ccc2)C(=O)c2c1cccc2)CC(=O)c1ccccc1 |
Title of publication |
3-[Hydroxy(3-methoxyphenyl)methylidene]-2-(2-oxo-2-phenylethyl)-3,4-dihydro-2<i>H</i>-1λ^6^,2-benzothiazine-1,1,4-trione |
Authors of publication |
Siddiqui, Hamid Latif; Ahmad, Matloob; Gul, Salman; Siddiqui, Waseeq Ahmad; Parvez, Masood |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2012 |
Journal volume |
68 |
Journal issue |
4 |
Pages of publication |
o978 - o979 |
a |
17.9615 ± 0.0005 Å |
b |
11.2633 ± 0.0003 Å |
c |
19.5904 ± 0.0006 Å |
α |
90° |
β |
90° |
γ |
90° |
Cell volume |
3963.3 ± 0.2 Å3 |
Cell temperature |
173 ± 2 K |
Ambient diffraction temperature |
173 ± 2 K |
Number of distinct elements |
5 |
Space group number |
61 |
Hermann-Mauguin space group symbol |
P b c a |
Hall space group symbol |
-P 2ac 2ab |
Residual factor for all reflections |
0.1046 |
Residual factor for significantly intense reflections |
0.0684 |
Weighted residual factors for significantly intense reflections |
0.114 |
Weighted residual factors for all reflections included in the refinement |
0.1329 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.101 |
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/2234350.html