Information card for entry 2208593
Chemical name |
3-Methyl-5-(4-oxo-4H-chromen-3-ylmethylene)-1,3-thiazolidine-2,4-dione |
Formula |
C14 H9 N O4 S |
Calculated formula |
C14 H9 N O4 S |
SMILES |
S1C(=C/c2c(=O)c3ccccc3oc2)\C(=O)N(C1=O)C |
Title of publication |
3-Methyl-5-(4-oxo-4<i>H</i>-chromen-3-ylmethylene)-1,3-thiazolidine-2,4-dione |
Authors of publication |
Aslantaş, Mehmet; Ceylan‒Ünlüsoy, Meltem; Ertan, Rahmiye; Kendi, Engin; Büyükgüngör, Orhan |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2006 |
Journal volume |
62 |
Journal issue |
4 |
Pages of publication |
o1471 - o1473 |
a |
5.5926 ± 0.0003 Å |
b |
27.063 ± 0.0002 Å |
c |
7.6829 ± 0.0004 Å |
α |
90° |
β |
92.439 ± 0.004° |
γ |
90° |
Cell volume |
1161.77 ± 0.09 Å3 |
Cell temperature |
295 ± 2 K |
Number of distinct elements |
5 |
Space group number |
14 |
Hermann-Mauguin space group symbol |
P 1 21/c 1 |
Hall space group symbol |
-P 2ybc |
Residual factor for significantly intense reflections |
0.0275 |
Weighted residual factors for all reflections included in the refinement |
0.0686 |
Goodness-of-fit parameter for all reflections included in the refinement |
0.962 |
Diffraction radiation wavelength |
0.71073 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
No |
For the version history of this entry, please navigate to main COD server.
The link is:
https://www.crystallography.net/2208593.html