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Information card for entry 2243410
Preview
| Coordinates | 2243410.cif |
|---|---|
| Original IUCr paper | HTML |
| Common name | 4-Bromoanilinium nitrate |
|---|---|
| Chemical name | <i>p</i>-Bromoanilinium nitrate |
| Formula | C6 H7 Br N2 O3 |
| Calculated formula | C6 H7 Br N2 O3 |
| SMILES | [NH3+]c1ccc(cc1)Br.N(=O)(=O)[O-] |
| Title of publication | Crystal structure and Hirshfeld surface analysis of 4-bromoanilinium nitrate |
| Authors of publication | Anbarasan, Radhakrishnan; Eniya, Palaniyasan; Kalyana Sundar, Jeyaperumal; Mengesha Woldemariam, Menberu |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2020 |
| Journal volume | 76 |
| Journal issue | 6 |
| Pages of publication | 973 - 976 |
| a | 9.7123 ± 0.0008 Å |
| b | 23.4964 ± 0.0019 Å |
| c | 7.6264 ± 0.0006 Å |
| α | 90° |
| β | 97.052 ± 0.004° |
| γ | 90° |
| Cell volume | 1727.2 ± 0.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.1304 |
| Residual factor for significantly intense reflections | 0.0593 |
| Weighted residual factors for all reflections included in the refinement | 0.1828 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.022 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 252480 (current) | 2020-05-30 | cif/ Adding structures of 2243410 via cif-deposit CGI script. |
2243410.cif |
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