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CIF Information Card
Information card for 2013200
2013199 << 2013200 >> 2013201Preview
|
Coordinates |
2013200.cif |
|
Structure factors |
2013200.hkl |
Structure parameters
| Formula | - C6 H8 N4 O4 - |
| Calculated formula | - C6 H8 N4 O4 - |
| Title of publication | Hydrogen bonding in nitroaniline analogues: hydrogen-bonded sheets in 2-amino-4,6-dimethoxy-5-nitropyrimidine and π-stacked hydrogen-bonded sheets in 4-amino-2,6-dimethoxy-5-nitropyrimidine |
| 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 | o14 - o18 |
| a | 6.8427 ± 0.0002 Å |
| b | 9.9742 ± 0.0005 Å |
| c | 13.2752 ± 0.0005 Å |
| α | 79.007 ± 0.002° |
| β | 75.577 ± 0.003° |
| γ | 72.547 ± 0.002° |
| Cell volume | 830.46 ± 0.06 Å3 |
| Cell temperature | 120 ± 1 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 4 |
| Hermann-Mauguin symmetry space group | P -1 |
| Hall symmetry space group | -P 1 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |