Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1558429
Preview
| Coordinates | 1558429.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C15 H11 Br F2 N4 O S |
|---|---|
| Calculated formula | C15 H11 Br F2 N4 O S |
| Title of publication | Design, Synthesis and Evaluation of Antifungal Activity of Novel Pyrazole-thiazole Carboxamides as Succinate Dehydrogenase Inhibitors. |
| Authors of publication | Yu, Bin; Zhou, Shuang; Cao, Lixin; Hao, Zesheng; Yang, Dongyan; Guo, Xiaofeng; Zhang, Nailou; Bakulev, Vasiliy A.; Fan, Zhijin |
| Journal of publication | Journal of agricultural and food chemistry |
| Year of publication | 2020 |
| a | 8.0375 ± 0.0002 Å |
| b | 9.3645 ± 0.0002 Å |
| c | 12.0386 ± 0.0003 Å |
| α | 92.048 ± 0.002° |
| β | 106.633 ± 0.002° |
| γ | 102.379 ± 0.002° |
| Cell volume | 843.44 ± 0.04 Å3 |
| Cell temperature | 294.15 K |
| Ambient diffraction temperature | 294.15 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.053 |
| Residual factor for significantly intense reflections | 0.0385 |
| Weighted residual factors for significantly intense reflections | 0.0946 |
| Weighted residual factors for all reflections included in the refinement | 0.1018 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301780 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 1/55 Each referenced PubChem compound corresponds to the full crystal structure. |
1558429.cif |
| 253486 | 2020-06-27 | cif/ Adding structures of 1558429 via cif-deposit CGI script. |
1558429.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.