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Information card for entry 1557683
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| Coordinates | 1557683.cif |
|---|---|
| Structure factors | 1557683.hkl |
| Original IUCr paper | HTML |
| Chemical name | 4-Amino-6-(piperidin-1-yl)pyrimidine-5-carbonitrile |
|---|---|
| Formula | C10 H13 N5 |
| Calculated formula | C10 H13 N5 |
| SMILES | c1(c(ncnc1N1CCCCC1)N)C#N |
| Title of publication | 4-Amino-6-(piperidin-1-yl)pyrimidine-5-carbonitrile |
| Authors of publication | Bhat, Radhika; Shraddha, K. N.; Begum, Noor Shahina |
| Journal of publication | IUCrData |
| Year of publication | 2020 |
| Journal volume | 5 |
| Journal issue | 3 |
| Pages of publication | x200385 |
| a | 10.7335 ± 0.0009 Å |
| b | 12.4005 ± 0.001 Å |
| c | 7.9206 ± 0.0006 Å |
| α | 90° |
| β | 93.654 ± 0.004° |
| γ | 90° |
| Cell volume | 1052.09 ± 0.15 Å3 |
| Cell temperature | 446 ± 2 K |
| Ambient diffraction temperature | 446 ± 2 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 all reflections | 0.0688 |
| Residual factor for significantly intense reflections | 0.0495 |
| Weighted residual factors for significantly intense reflections | 0.1522 |
| Weighted residual factors for all reflections included in the refinement | 0.1795 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.156 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 300370 (current) | 2025-07-05 | Updating bibliography information from the data sent by Robert McMeeking. cod/ (saulius@pterodaktilis) |
1557683.cif 1557683.hkl |
| 249823 | 2020-03-28 | cif/ hkl/ Adding structures of 1557683 via cif-deposit CGI script. |
1557683.cif 1557683.hkl |
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Users of the data should acknowledge the original authors of the
structural data.