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Information card for entry 7052832
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| Coordinates | 7052832.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | N-(2-pyrimidyl)amino-1-phenyloethanol |
|---|---|
| Chemical name | N-(2-pyrimidyl)amino-1-phenyloethanol |
| Formula | C12 H13 N3 O |
| Calculated formula | C12 H13 N3 O |
| Title of publication | Engineering N-(2-pyridyl)aminoethyl alcohols as potential precursors of thermolabile protecting groups |
| Authors of publication | Chmielewski, Marcin K.; Tykarska, Ewa; Markiewicz, Wojciech T.; Rypniewski, Wojciech |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2012 |
| Journal volume | 36 |
| Journal issue | 3 |
| Pages of publication | 603 |
| a | 5.605 ± 0.0011 Å |
| b | 20.972 ± 0.004 Å |
| c | 9.5 ± 0.0019 Å |
| α | 90° |
| β | 108.11 ± 0.03° |
| γ | 90° |
| Cell volume | 1061.4 ± 0.4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.048 |
| Residual factor for significantly intense reflections | 0.0471 |
| Weighted residual factors for significantly intense reflections | 0.1321 |
| Weighted residual factors for all reflections included in the refinement | 0.1357 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.1 |
| Diffraction radiation wavelength | 0.8162 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301851 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/05/ Each referenced PubChem compound corresponds to the full crystal structure. |
7052832.cif |
| 180082 | 2016-03-26 | cif/7/05/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/05/28. |
7052832.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7052832.cif |
| 37623 | 2012-03-04 | ../uploads/cif-deposit/cod/cif Adding structures of 7052829, 7052830, 7052831, 7052832, 7052833 via cif-deposit CGI script. |
7052832.cif |
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Users of the data should acknowledge the original authors of the
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