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CIF Information Card
Information card for 2013871
2013870 << 2013871 >> 2013872Preview
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Coordinates |
2013871.cif |
|
Structure factors |
2013871.hkl |
Structure parameters
| Formula | - C13 H16 N4 O2 - |
| Calculated formula | - C13 H16 N4 O2 - |
| Title of publication | 5-Amino-3-tert-butyl-1-(4-nitrophenyl)-1H-pyrazole forms hydrogen-bonded sheets of alternating R^2^~2~(20) and R^6^~6~(32) rings |
| Authors of publication | Low, John N.; Cobo, Justo; Abonia, Rodrigo; Quiroga, Jairo; Glidewell, Christopher |
| Journal of publication | Acta Crystallographica, Section C |
| Year of publication | 2004 |
| Journal volume | 60 |
| Pages of publication | o194 - o195 |
| a | 5.9581 ± 0.0002 Å |
| b | 18.3064 ± 0.0011 Å |
| c | 12.0776 ± 0.0007 Å |
| α | 90° |
| β | 93.415 ± 0.0012° |
| γ | 90° |
| Cell volume | 1314.98 ± 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 |