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Information card for entry 2108039
Preview
| Coordinates | 2108039.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C7 H6 N2 |
|---|---|
| Calculated formula | C7 H6 N2 |
| SMILES | Nc1ccc(cc1)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 | 7.35 ± 0.01 Å |
| b | 5.56 ± 0.01 Å |
| c | 16.1 ± 0.02 Å |
| α | 90° |
| β | 102 ± 0.1° |
| γ | 90° |
| Cell volume | 643.6 ± 1.7 Å3 |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for significantly intense reflections | 0.068 |
| 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 |
|---|---|---|---|
| 194386 (current) | 2017-03-21 | cif/ Adding structures of 2108039 via cif-deposit CGI script. |
2108039.cif |
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Users of the data should acknowledge the original authors of the
structural data.