Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7251251
Preview
| Coordinates | 7251251.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H23 B0 Cl N4 O5 |
|---|---|
| Calculated formula | C20 H23 Cl N4 O5 |
| Title of publication | Novel pyrimethamine salts with isomeric dihydroxybenzoic acids: crystallization and characterization |
| Authors of publication | Kedra, Karolina; Dąbrowa, Kajetan; Gajek, Arkadiusz; CEBORSKA, MAGDALENA |
| Journal of publication | CrystEngComm |
| Year of publication | 2025 |
| a | 7.3072 ± 0.0003 Å |
| b | 11.7178 ± 0.0006 Å |
| c | 13.0913 ± 0.0004 Å |
| α | 99.716 ± 0.004° |
| β | 95.622 ± 0.003° |
| γ | 105.755 ± 0.004° |
| Cell volume | 1051.06 ± 0.08 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0449 |
| Residual factor for significantly intense reflections | 0.0416 |
| Weighted residual factors for significantly intense reflections | 0.1193 |
| Weighted residual factors for all reflections included in the refinement | 0.1226 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 303238 (current) | 2025-11-09 | cif/ Adding structures of 7251250, 7251251, 7251252, 7251253 via cif-deposit CGI script. |
7251251.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.