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Information card for entry 2213341
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Coordinates | 2213341.cif |
---|---|
Original IUCr paper | HTML |
External links | ChemSpider |
Chemical name | 5-[4-Chloro-2-(4-chlorobenzylsulfanyl)thiazol-5-ylmethylene]-3-(2,4- dichlorobenzyl)thiazolidine-2,4-dione |
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Formula | C21 H12 Cl4 N2 O2 S3 |
Calculated formula | C21 H12 Cl4 N2 O2 S3 |
SMILES | s1c(/C=C2\SC(=O)N(C2=O)Cc2c(Cl)cc(Cl)cc2)c(Cl)nc1SCc1ccc(Cl)cc1 |
Title of publication | 5-[4-Chloro-2-(4-chlorobenzylsulfanyl)thiazol-5-ylmethylene]-3-(2,4-dichlorobenzyl)thiazolidine-2,4-dione |
Authors of publication | Özgen, Özen; Bozdag̃‒Dündar, Oya; Ertan, Rahmiye; Kendi, Engin |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2007 |
Journal volume | 63 |
Journal issue | 5 |
Pages of publication | o2355 - o2356 |
a | 8.042 ± 0.0007 Å |
b | 14.359 ± 0.002 Å |
c | 21.2641 ± 0.0015 Å |
α | 100.386 ± 0.008° |
β | 99.594 ± 0.007° |
γ | 104.237 ± 0.01° |
Cell volume | 2283 ± 0.4 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 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 | 0.2863 |
Residual factor for significantly intense reflections | 0.0758 |
Weighted residual factors for significantly intense reflections | 0.1644 |
Weighted residual factors for all reflections included in the refinement | 0.2212 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
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/2213341.html
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Users of the data should acknowledge the original authors of the
structural data.