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Information card for entry 7232231
Preview
| Coordinates | 7232231.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C10 H12 N4 O2 S |
|---|---|
| Calculated formula | C10 H12 N4 O2 S |
| Title of publication | Separation or combination of non-covalently linked partners provides polymorphs of N-(aryl)-2-(propan-2-ylidene)hydrazine carbothioamides |
| Authors of publication | Tarai, Arup; Baruah, Jubaraj Bikash |
| Journal of publication | CrystEngComm |
| Year of publication | 2019 |
| Journal volume | 21 |
| Journal issue | 9 |
| Pages of publication | 1397 |
| a | 6.5101 ± 0.0011 Å |
| b | 9.753 ± 0.0016 Å |
| c | 10.3547 ± 0.0019 Å |
| α | 81.848 ± 0.012° |
| β | 72.076 ± 0.013° |
| γ | 81.359 ± 0.013° |
| Cell volume | 615.24 ± 0.19 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 | 0.0625 |
| Residual factor for significantly intense reflections | 0.0428 |
| Weighted residual factors for significantly intense reflections | 0.1059 |
| Weighted residual factors for all reflections included in the refinement | 0.1161 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.071 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301866 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/23/ Each referenced PubChem compound corresponds to the full crystal structure. |
7232231.cif |
| 223663 | 2019-11-07 | cif/ Updating files of 7232228, 7232229, 7232230, 7232231 Original log message: Adding full bibliography for 7232228--7232231.cif. |
7232231.cif |
| 213334 | 2019-01-26 | cif/ Adding structures of 7232228, 7232229, 7232230, 7232231 via cif-deposit CGI script. |
7232231.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.