Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7250393
Preview
| Coordinates | 7250393.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C8 H14 N4 O3 |
|---|---|
| Calculated formula | C8 H14 N4 O3 |
| Title of publication | Exploring uracil derivatives: synthesis, crystal structure insights, and antibacterial activity |
| Authors of publication | Mal, Susital; Franco, Chris H. J.; Kumar, Binay; Kirillov, Alexander M.; Das, Subrata |
| Journal of publication | CrystEngComm |
| Year of publication | 2025 |
| a | 8.0489 ± 0.0009 Å |
| b | 8.2275 ± 0.0008 Å |
| c | 8.8795 ± 0.0009 Å |
| α | 65.458 ± 0.01° |
| β | 78.475 ± 0.009° |
| γ | 73.773 ± 0.01° |
| Cell volume | 511.22 ± 0.1 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0645 |
| Residual factor for significantly intense reflections | 0.0507 |
| Weighted residual factors for significantly intense reflections | 0.1373 |
| Weighted residual factors for all reflections included in the refinement | 0.1494 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
| 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 |
|---|---|---|---|
| 299676 (current) | 2025-05-15 | cif/ Adding structures of 7250393, 7250394 via cif-deposit CGI script. |
7250393.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.