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Information card for entry 1557319
Preview
| Coordinates | 1557319.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | 2-Amino-5-(2-chloroethyl)-3-cyano-6-cyclopropyl-4-methylpyridine |
|---|---|
| Formula | C12 H14 Cl N3 |
| Calculated formula | C12 Cl N3 |
| Title of publication | Dimerization of Cyclopropanecarbonitrile Mediated by Grignard Reagents. Formation of Highly Substituted Pyridines |
| Authors of publication | Kolsaker, Per; Songe, Pal; Romming, Christian |
| Journal of publication | Acta Chemica Scandinavica |
| Year of publication | 1997 |
| Journal volume | 51 |
| Pages of publication | 1104 - 1111 |
| a | 7.8618 ± 0.0003 Å |
| b | 8.8618 ± 0.0003 Å |
| c | 9.8959 ± 0.0003 Å |
| α | 108.284 ± 0.002° |
| β | 95.969 ± 0.002° |
| γ | 104.129 ± 0.001° |
| Cell volume | 622.51 ± 0.04 Å3 |
| Ambient diffraction temperature | 150 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for significantly intense reflections | 0.052 |
| Weighted residual factors for all reflections included in the refinement | 0.13 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 248155 (current) | 2020-02-14 | cif/ Adding structures of 1557319 via cif-deposit CGI script. |
1557319.cif |
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Users of the data should acknowledge the original authors of the
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