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Information card for entry 2019862
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| Coordinates | 2019862.cif |
|---|---|
| Structure factors | 2019862.hkl |
| Original IUCr paper | HTML |
| Chemical name | 2,3-Bis(4-chlorophenyl)-1,3-thiazolidin-4-one |
|---|---|
| Formula | C15 H11 Cl2 N O S |
| Calculated formula | C15 H11 Cl2 N O S |
| SMILES | C1(c2ccc(cc2)Cl)N(c2ccc(cc2)Cl)C(=O)CS1 |
| Title of publication | Crystal structures of 2,3-bis(4-chlorophenyl)-1,3-thiazolidin-4-one andtrans-2,3-bis(4-chlorophenyl)-1,3-thiazolidin-4-one 1-oxide |
| Authors of publication | Yennawar, Hemant P.; Tierney, John; Hullihen, Patrick D.; Silverberg, Lee J. |
| Journal of publication | Acta Crystallographica Section E Crystallographic Communications |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 3 |
| Pages of publication | 264 |
| a | 8.019 ± 0.006 Å |
| b | 9.562 ± 0.008 Å |
| c | 9.984 ± 0.008 Å |
| α | 88.937 ± 0.013° |
| β | 76.254 ± 0.012° |
| γ | 71.586 ± 0.013° |
| Cell volume | 704.2 ± 1 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 | 0.0393 |
| Residual factor for significantly intense reflections | 0.0359 |
| Weighted residual factors for significantly intense reflections | 0.0956 |
| Weighted residual factors for all reflections included in the refinement | 0.0987 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181868 (current) | 2016-04-06 | hkl/2/01/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/01/98. |
2019862.cif 2019862.hkl |
| 180866 | 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 2/01/98. |
2019862.cif 2019862.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. |
2019862.cif 2019862.hkl |
| 131681 | 2015-02-11 | cif/ hkl/ Adding structures of 2019862, 2019863 via cif-deposit CGI script. |
2019862.cif 2019862.hkl |
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Users of the data should acknowledge the original authors of the
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