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Information card for entry 2242665
Preview
Coordinates | 2242665.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | 2-Trichloromethyl-3-phenyl-1,3-thiazolidin-4-one |
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Formula | C10 H8 Cl3 N O S |
Calculated formula | C10 H8 Cl3 N O S |
SMILES | ClC(Cl)(Cl)C1SCC(=O)N1c1ccccc1 |
Title of publication | Crystal structures of two thiazolidinone derivatives bearing a trichloromethyl substituent at the 2-position |
Authors of publication | Nuriye, Ahmed; Yennawar, Hemant; Cannon, Kevin; Tierney, John |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2018 |
Journal volume | 74 |
Journal issue | 10 |
Pages of publication | 1509 - 1512 |
a | 6.1968 ± 0.0013 Å |
b | 9.578 ± 0.002 Å |
c | 10.854 ± 0.002 Å |
α | 103.135 ± 0.004° |
β | 91.319 ± 0.003° |
γ | 99.239 ± 0.003° |
Cell volume | 618 ± 0.2 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 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 | 0.0423 |
Residual factor for significantly intense reflections | 0.0383 |
Weighted residual factors for significantly intense reflections | 0.1141 |
Weighted residual factors for all reflections included in the refinement | 0.1177 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.009 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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