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Information card for entry 7122375
Preview
| Coordinates | 7122375.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C9 H11 N3 S |
|---|---|
| Calculated formula | C9 H11 N3 S |
| Title of publication | Selected aryl thiosemicarbazones as a new class of multi-targeted monoamine oxidase inhibitors. |
| Authors of publication | Mathew, Bijo; Baek, Seung Cheol; Grace Thomas Parambi, Della; Pil Lee, Jae; Joy, Monu; Annie Rilda, P. R.; Randev, Rugma V.; Nithyamol, P.; Vijayan, Vijitha; Inasu, Sini T.; Mathew, Githa Elizabeth; Lohidakshan, Krishnakumar K.; Kumar Krishnan, Girish; Kim, Hoon |
| Journal of publication | MedChemComm |
| Year of publication | 2018 |
| Journal volume | 9 |
| Journal issue | 11 |
| Pages of publication | 1871 - 1881 |
| a | 13.2482 ± 0.0009 Å |
| b | 8.2243 ± 0.0004 Å |
| c | 10.2827 ± 0.0007 Å |
| α | 90° |
| β | 111.265 ± 0.003° |
| γ | 90° |
| Cell volume | 1044.09 ± 0.11 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.1115 |
| Residual factor for significantly intense reflections | 0.0558 |
| Weighted residual factors for significantly intense reflections | 0.1069 |
| Weighted residual factors for all reflections included in the refinement | 0.127 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301860 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/12/ Each referenced PubChem compound corresponds to the full crystal structure. |
7122375.cif |
| 230140 | 2019-11-17 | cif/ Updating files of 7122375 Original log message: Adding full bibliography for 7122375.cif. |
7122375.cif |
| 211168 | 2018-09-26 | cif/ Adding structures of 7122375 via cif-deposit CGI script. |
7122375.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
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Users of the data should acknowledge the original authors of the
structural data.