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Information card for entry 1548683
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| Coordinates | 1548683.cif |
|---|---|
| Structure factors | 1548683.hkl |
| Original IUCr paper | HTML |
| Chemical name | (<i>E</i>)-5-{4-[2-(5-Ethylpyridin-2-yl)ethoxy]benzylidene}thiazolidine- 2,4-dione |
|---|---|
| Formula | C19 H18 N2 O3 S |
| Calculated formula | C19 H18 N2 O3 S |
| SMILES | CCc1ccc(CCOc2ccc(cc2)/C=C2\SC(=O)NC2=O)nc1 |
| Title of publication | (<i>E</i>)-5-{4-[2-(5-Ethylpyridin-2-yl)ethoxy]benzylidene}thiazolidine-2,4-dione |
| Authors of publication | Balakumaran, K.; Mosesbabu, J.; Anireddy, Jayashree; Chakkaravarthi, G. |
| Journal of publication | IUCrData |
| Year of publication | 2018 |
| Journal volume | 3 |
| Journal issue | 1 |
| Pages of publication | x171839 |
| a | 7.6756 ± 0.0002 Å |
| b | 13.6762 ± 0.0003 Å |
| c | 17.6561 ± 0.0004 Å |
| α | 90° |
| β | 110.442 ± 0.002° |
| γ | 90° |
| Cell volume | 1736.7 ± 0.07 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction 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 all reflections | 0.0461 |
| Residual factor for significantly intense reflections | 0.0404 |
| Weighted residual factors for significantly intense reflections | 0.1092 |
| Weighted residual factors for all reflections included in the refinement | 0.1152 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 205191 (current) | 2018-01-13 | cif/ hkl/ Adding structures of 1548683 via cif-deposit CGI script. |
1548683.cif 1548683.hkl |
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Users of the data should acknowledge the original authors of the
structural data.