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Information card for entry 2108038
Preview
| Coordinates | 2108038.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C7 H6 N2 |
|---|---|
| Calculated formula | C7 H6 N2 |
| SMILES | Nc1cc(ccc1)C#N |
| Title of publication | The structures of m-cyanoaniline and p-cyanoaniline |
| Authors of publication | Merlino, Stefano; Sartori, Franco |
| Journal of publication | Acta Crystallographica Section B |
| Year of publication | 1982 |
| Journal volume | 38 |
| Pages of publication | 1476 - 1480 |
| a | 8.27 ± 0.01 Å |
| b | 16.94 ± 0.02 Å |
| c | 4.89 ± 0.01 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 685.1 ± 1.8 Å3 |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 3 |
| Space group number | 33 |
| Hermann-Mauguin space group symbol | P n a 21 |
| Hall space group symbol | P 2c -2n |
| Residual factor for significantly intense reflections | 0.065 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 194385 (current) | 2017-03-21 | cif/ Adding structures of 2108038 via cif-deposit CGI script. |
2108038.cif |
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Users of the data should acknowledge the original authors of the
structural data.