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CIF Information Card
Information card for 2013182
2013181 << 2013182 >> 2013183Preview
|
Coordinates |
2013182.cif |
|
Structure factors |
2013182.hkl |
Structure parameters
| Formula | - C6 H9 N3 O - |
| Calculated formula | - C6 H9 N3 O - |
| Title of publication | Hydrogen bonding in 2-amino-4-methoxy-6-methylpyrimidine, 2-benzylamino-4-benzyloxy-6-methylpyrimidine and 4-benzylamino-2,6-bis(benzyloxy)pyrimidine: π-stacked chains of fused R^2^~2~(8) rings, and centrosymmetric R^2^~2~(8) dimers |
| Authors of publication | Glidewell, Christopher; Low, John N.; Melguizo, Manuel; Quesada, Antonio |
| Journal of publication | Acta Crystallographica, Section C |
| Year of publication | 2003 |
| Journal volume | 59 |
| Pages of publication | o9 - o13 |
| a | 8.1442 ± 0.0017 Å |
| b | 6.5456 ± 0.0011 Å |
| c | 12.285 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 654.9 ± 0.2 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 4 |
| Hermann-Mauguin symmetry space group | P n m a |
| Hall symmetry space group | -P 2ac 2n |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |