Crystallography Open Database
| COD Home |
|---|
| Accessing COD Data |
|---|
| Add Your Data |
|---|
| Documentation |
|---|
CIF Information Card
Information card for 2015309
2015308 << 2015309 >> 2015310Preview
|
Coordinates |
2015309.cif |
|
Original IUCr paper |
HTML |
Structure parameters
| Chemical name | 2-methyl-4-nitroanilinium bromide |
| Formula | - C7 H9 Br N2 O2 - |
| Calculated formula | - C7 H9 Br N2 O2 - |
| Title of publication | Hydrogen bonding in isomorphous 2-methyl-4-nitroanilinium bromide and iodide |
| Authors of publication | Lemmerer, Andreas; Billing, David G. |
| Journal of publication | Acta Crystallographica, Section C |
| Year of publication | 2006 |
| Journal volume | 62 |
| Journal issue | 5 |
| Pages of publication | o271 - o273 |
| a | 14.687 ± 0.005 Å |
| b | 9.84 ± 0.005 Å |
| c | 6.877 ± 0.005 Å |
| α | 90° |
| β | 93.836 ± 0.005° |
| γ | 90° |
| Cell volume | 991.6 ± 0.9 Å3 |
| Cell temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Hermann-Mauguin symmetry space group | P 1 21/c 1 |
| Hall symmetry space group | -P 2ybc |
| Residual factor for observed reflections | 0.0575 |
| Weighted residual factors for all reflections included in the refinement | 0.2196 |
| Goodness-of-fit parameter for observed reflections | 1.205 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |