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Information card for entry 2023552
Preview
| Coordinates | 2023552.cif |
|---|---|
| Original IUCr paper | HTML |
| Common name | 5-Bromosalicylic acid dimethylformamide monosolvate |
|---|---|
| Chemical name | 5-Bromo-2-hydroxybenzoic acid dimethylformamide monosolvate |
| Formula | C10 H12 Br N O4 |
| Calculated formula | C10 H12 Br N O4 |
| Title of publication | Crystal structure and Hirshfeld surface of 5-bromosalicylic acid dimethylformamide monosolvate |
| Authors of publication | Akerele, Oluwatoyin; Lemmerer, Andreas |
| Journal of publication | Acta Crystallographica Section E Crystallographic Communications |
| Year of publication | 2026 |
| Journal volume | 82 |
| Journal issue | 10 |
| a | 8.5524 ± 0.0003 Å |
| b | 9.5175 ± 0.0003 Å |
| c | 14.9678 ± 0.0005 Å |
| α | 95.923 ± 0.001° |
| β | 99.795 ± 0.002° |
| γ | 100.461 ± 0.001° |
| Cell volume | 1169.27 ± 0.07 Å3 |
| Cell temperature | 173 K |
| Ambient diffraction temperature | 173 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0285 |
| Residual factor for significantly intense reflections | 0.0237 |
| Weighted residual factors for significantly intense reflections | 0.0593 |
| Weighted residual factors for all reflections included in the refinement | 0.0617 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 306853 (current) | 2026-09-03 | cif/ Adding structures of 2023552 via cif-deposit CGI script. |
2023552.cif |
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