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Information card for entry 7224968
Preview
| Coordinates | 7224968.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C13 H16 N4 O3 S3 |
|---|---|
| Calculated formula | C13 H16 N4 O3 S3 |
| Title of publication | Imine-tautomers of aminothiazole derivatives: intriguing aspects of chemical reactivities |
| Authors of publication | Phukan, Nithi; Baruah, Jubaraj B. |
| Journal of publication | CrystEngComm |
| Year of publication | 2016 |
| Journal volume | 18 |
| Journal issue | 21 |
| Pages of publication | 3877 |
| a | 7.8556 ± 0.0004 Å |
| b | 10.5492 ± 0.0005 Å |
| c | 11.5009 ± 0.0006 Å |
| α | 91.605 ± 0.003° |
| β | 102.511 ± 0.003° |
| γ | 110.839 ± 0.002° |
| Cell volume | 863.8 ± 0.08 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 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 | 0.0393 |
| Residual factor for significantly intense reflections | 0.0339 |
| Weighted residual factors for significantly intense reflections | 0.0719 |
| Weighted residual factors for all reflections included in the refinement | 0.0739 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 185246 (current) | 2016-08-07 | cif/ Updating files of 7224966, 7224967, 7224968, 7224969, 7224970, 7224971, 7224972, 7224973, 7224974, 7224975 Original log message: Adding full bibliography for 7224966--7224975.cif. |
7224968.cif |
| 182227 | 2016-04-21 | cif/ Adding structures of 7224966, 7224967, 7224968, 7224969, 7224970, 7224971, 7224972, 7224973, 7224974, 7224975 via cif-deposit CGI script. |
7224968.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.