Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7246787
Preview
| Coordinates | 7246787.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Nilutamide- Form V |
|---|---|
| Formula | C12 H10 F3 N3 O4 |
| Calculated formula | C12 H10 F3 N3 O4 |
| SMILES | c1(ccc(c(c1)C(F)(F)F)N(=O)=O)N1C(=O)C(C)(C)NC1=O |
| Title of publication | Polymorphs, cocrystal and hydrate of nilutamide |
| Authors of publication | Prashanth, Jupally; Surov, Artem O.; Drozd, Ksenia V.; Perlovich, German L.; Balasubramanian, Sridhar |
| Journal of publication | CrystEngComm |
| Year of publication | 2023 |
| Journal volume | 25 |
| Journal issue | 24 |
| Pages of publication | 3501 - 3513 |
| a | 7.1966 ± 0.0005 Å |
| b | 16.2038 ± 0.0012 Å |
| c | 22.6209 ± 0.0015 Å |
| α | 90° |
| β | 94.633 ± 0.002° |
| γ | 90° |
| Cell volume | 2629.3 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.1122 |
| Residual factor for significantly intense reflections | 0.044 |
| Weighted residual factors for significantly intense reflections | 0.0851 |
| Weighted residual factors for all reflections included in the refinement | 0.107 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.001 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 284913 (current) | 2023-07-05 | cif/ Updating files of 7246786, 7246787, 7246788, 7246789 Original log message: Adding full bibliography for 7246786--7246789.cif. |
7246787.cif |
| 283790 | 2023-05-16 | cif/ Adding structures of 7246786, 7246787, 7246788, 7246789 via cif-deposit CGI script. |
7246787.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.