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CIF Information Card
Information card for 2014742
2014741 << 2014742 >> 2014743Preview
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Coordinates |
2014742.cif |
|
Structure factors |
2014742.hkl |
Structure parameters
| Formula | - C4 H6 N2 O2 - |
| Calculated formula | - C4 H6 N2 O2 - |
| Title of publication | 2,5-Piperazinedione‒oxalic acid‒water (1/1/2) and a redetermination of 2,5-piperazinedione, both at 120 K: hydrogen-bonded sheets containing multiple ring types |
| Authors of publication | Sarangarajan, Thanjavur Ramabhadran; Panchanatheswaran, Krishnaswamy; Low, John N.; Glidewell, Christopher |
| Journal of publication | Acta Crystallographica, Section C |
| Year of publication | 2005 |
| Journal volume | 61 |
| Pages of publication | o118 - o121 |
| a | 3.8967 ± 0.001 Å |
| b | 11.527 ± 0.003 Å |
| c | 5.159 ± 0.002 Å |
| α | 90° |
| β | 96.46 ± 0.02° |
| γ | 90° |
| Cell volume | 230.26 ± 0.12 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/c 1 |
| Hall symmetry space group | -P 2ybc |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |