Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2022853
Preview
| Coordinates | 2022853.cif |
|---|---|
| Structure factors | 2022853.hkl |
| Original IUCr paper | HTML |
| Chemical name | 1-(2-Amino-4-methyl-1,3-thiazol-5-yl)ethan-1-one |
|---|---|
| Formula | C6 H8 N2 O S |
| Calculated formula | C6 H8 N2 O S |
| Title of publication | Crystal structure and Hirshfeld surface analysis of 1-(2-amino-4-methyl-1,3-thiazol-5-yl)ethan-1-one |
| Authors of publication | Huseynov, Elnur Z.; Akkurt, Mehmet; Brito, Ivan; Bhattarai, Ajaya; Rzayev, Rovnag M.; Asadov, Khammed A.; Maharramov, Abel M. |
| Journal of publication | Acta Crystallographica Section E Crystallographic Communications |
| Year of publication | 2023 |
| Journal volume | 79 |
| Journal issue | 10 |
| a | 6.7445 ± 0.0015 Å |
| b | 13.498 ± 0.003 Å |
| c | 8.01 ± 0.002 Å |
| α | 90° |
| β | 94.421 ± 0.007° |
| γ | 90° |
| Cell volume | 727 ± 0.3 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.1025 |
| Residual factor for significantly intense reflections | 0.0496 |
| Weighted residual factors for significantly intense reflections | 0.1161 |
| Weighted residual factors for all reflections included in the refinement | 0.1416 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 286282 (current) | 2023-09-09 | cif/ hkl/ Adding structures of 2022853 via cif-deposit CGI script. |
2022853.cif 2022853.hkl |
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.