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CIF Information Card
Information card for 2014404
2014403 << 2014404 >> 2014405Preview
|
Coordinates |
2014404.cif |
|
Structure factors |
2014404.hkl |
Structure parameters
| Formula | - C5 H9 N5 S - |
| Calculated formula | - C5 H9 N5 S - |
| Title of publication | 4,5,6-Triamino-2-(methylsulfanyl)pyrimidine: π-stacked hydrogen-bonded sheets of <i>R</i>~2~^2^(8), <i>R</i>~2~^2^(10) and <i>R</i>~6~^6^(32) rings |
| Authors of publication | Cobo, Justo; Sánchez Rodrigo, Adolfo; Nogueras Montiel, Manuel; Low, John N.; Glidewell, Christopher |
| Journal of publication | Acta Crystallographica, Section C |
| Year of publication | 2006 |
| Journal volume | 62 |
| Pages of publication | o142 - o144 |
| a | 7.7824 ± 0.0002 Å |
| b | 8.9623 ± 0.0003 Å |
| c | 10.5078 ± 0.0004 Å |
| α | 90° |
| β | 95.261 ± 0.002° |
| γ | 90° |
| Cell volume | 729.81 ± 0.04 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 4 |
| Hermann-Mauguin symmetry space group | P 1 21/n 1 |
| Hall symmetry space group | -P 2yn |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |