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Information card for entry 2231162
Preview
Coordinates | 2231162.cif |
---|---|
Structure factors | 2231162.hkl |
Original IUCr paper | HTML |
Chemical name | Methyl (2<i>Z</i>)-2-(2-fluoro-4-methoxybenzylidene)-5-(4-methoxyphenyl)- 7-methyl-3-oxo-2,3-dihydro-5<i>H</i>-[1,3]thiazolo[3,2-<i>a</i>]pyrimidine- 6-carboxylate |
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Formula | C24 H21 F N2 O5 S |
Calculated formula | C24 H21 F N2 O5 S |
SMILES | S1C2=NC(=C(C(N2C(=O)C1=Cc1c(F)cc(OC)cc1)c1ccc(OC)cc1)C(=O)OC)C |
Title of publication | Methyl (2<i>Z</i>)-2-(2-fluoro-4-methoxybenzylidene)-5-(4-methoxyphenyl)-7-methyl-3-oxo-2,3-dihydro-5<i>H</i>-[1,3]thiazolo[3,2-<i>a</i>]pyrimidine-6-carboxylate |
Authors of publication | Fun, Hoong-Kun; Loh, Wan-Sin; Sarojini, B. K.; Umesha, K.; Narayana, B. |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2011 |
Journal volume | 67 |
Journal issue | 8 |
Pages of publication | o1913 - o1914 |
a | 11.7374 ± 0.0002 Å |
b | 14.3062 ± 0.0002 Å |
c | 14.5552 ± 0.0002 Å |
α | 61.939 ± 0.001° |
β | 80.791 ± 0.001° |
γ | 84.878 ± 0.001° |
Cell volume | 2128.69 ± 0.06 Å3 |
Cell temperature | 100 ± 0.1 K |
Ambient diffraction temperature | 100 ± 0.1 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0595 |
Residual factor for significantly intense reflections | 0.0436 |
Weighted residual factors for significantly intense reflections | 0.1107 |
Weighted residual factors for all reflections included in the refinement | 0.1226 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
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/2231162.html
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Users of the data should acknowledge the original authors of the
structural data.