Information card for entry 2234359
Chemical name |
Ethyl 7-methyl-3-oxo-5-phenyl-2-(2,4,6-trimethoxybenzylidene)- 2,3-dihydro-5<i>H</i>-thiazolo[3,2-<i>a</i>]pyrimidine-6-carboxylate |
Formula |
C26 H26 N2 O6 S |
Calculated formula |
C26 H26 N2 O6 S |
SMILES |
S1C2=NC(=C(C(=O)OCC)C(N2C(=O)C1=Cc1c(OC)cc(OC)cc1OC)c1ccccc1)C |
Title of publication |
Ethyl 7-methyl-3-oxo-5-phenyl-2-(2,4,6-trimethoxybenzylidene)-2,3-dihydro-5<i>H</i>-thiazolo[3,2-<i>a</i>]pyrimidine-6-carboxylate |
Authors of publication |
Banu, Noor Afshan; Bheema Raju, V. |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2012 |
Journal volume |
68 |
Journal issue |
4 |
Pages of publication |
o1213 |
a |
7.5363 ± 0.0019 Å |
b |
18.178 ± 0.005 Å |
c |
16.973 ± 0.004 Å |
α |
90° |
β |
94.465 ± 0.005° |
γ |
90° |
Cell volume |
2318.2 ± 1 Å3 |
Cell temperature |
296 ± 2 K |
Ambient diffraction temperature |
296 ± 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 |
0.0903 |
Residual factor for significantly intense reflections |
0.058 |
Weighted residual factors for significantly intense reflections |
0.1403 |
Weighted residual factors for all reflections included in the refinement |
0.1677 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.068 |
Diffraction radiation wavelength |
0.71073 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
Yes |
For the version history of this entry, please navigate to main COD server.
The link is:
https://www.crystallography.net/2234359.html