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Information card for entry 2019627
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| Coordinates | 2019627.cif |
|---|---|
| Structure factors | 2019627.hkl |
| Original IUCr paper | HTML |
| Chemical name | 5-(2-Hydroxyethyl)-2-[(pyridin-2-yl)amino]-1,3-thiazolidin-4-one |
|---|---|
| Formula | C10 H11 N3 O2 S |
| Calculated formula | C10 H11 N3 O2 S |
| Title of publication | Heterocyclic tautomerism: reassignment of two crystal structures of 2-amino-1,3-thiazolidin-4-one derivatives |
| Authors of publication | Gzella, Andrzej K.; Kowiel, Marcin; Suseł, Aneta; Wojtyra, Magdalena N.; Lesyk, Roman |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 8 |
| a | 5.7891 ± 0.00015 Å |
| b | 8.8045 ± 0.0002 Å |
| c | 10.9688 ± 0.0003 Å |
| α | 90.638 ± 0.002° |
| β | 95.794 ± 0.002° |
| γ | 107.99 ± 0.002° |
| Cell volume | 528.5 ± 0.02 Å3 |
| Cell temperature | 130 ± 2 K |
| Ambient diffraction temperature | 130 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0389 |
| Residual factor for significantly intense reflections | 0.0357 |
| Weighted residual factors for significantly intense reflections | 0.0857 |
| Weighted residual factors for all reflections included in the refinement | 0.0879 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.133 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181866 (current) | 2016-04-06 | hkl/2/01/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/01/96. |
2019627.cif 2019627.hkl |
| 180864 | 2016-04-02 | cif/2/01/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01/96. |
2019627.cif 2019627.hkl |
| 176760 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01. |
2019627.cif 2019627.hkl |
| 120969 | 2014-07-31 | cif/ hkl/ Adding structures of 2019627, 2019628 via cif-deposit CGI script. |
2019627.cif 2019627.hkl |
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Users of the data should acknowledge the original authors of the
structural data.