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Information card for entry 7202237
Preview
| Coordinates | 7202237.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Formula | C15 H12 N2 O S |
|---|---|
| Calculated formula | C15 H12 N2 O S |
| SMILES | S1C(N(c2ccccc2)C(=O)C1)=Nc1ccccc1 |
| Title of publication | It is “2-imino-4-thiazolidinones” and not thiohydantoins as the reaction product of 1,3-disubstituted thioureas and chloroacetylchloride |
| Authors of publication | Yella, Ramesh; Ghosh, Harisadhan; Patel, Bhisma K. |
| Journal of publication | Green Chemistry |
| Year of publication | 2008 |
| Journal volume | 10 |
| Journal issue | 12 |
| Pages of publication | 1307 |
| a | 10.9047 ± 0.0002 Å |
| b | 10.0696 ± 0.0002 Å |
| c | 24.2827 ± 0.0006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2666.39 ± 0.1 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0566 |
| Residual factor for significantly intense reflections | 0.0344 |
| Weighted residual factors for significantly intense reflections | 0.086 |
| Weighted residual factors for all reflections included in the refinement | 0.093 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.947 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 202017 (current) | 2017-10-14 | cif/ Marking COD entries in range 7 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
7202237.cif |
| 176432 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
7202237.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7202237.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7202237.cif |
| 1173 | 2010-05-16 | cif/7/: adding data from Dalton-Trans-2008, New-J-Chem-2008, Org-Biomol-Chem-2008 and RSC-2008 processing. | 7202237.cif |
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Users of the data should acknowledge the original authors of the
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