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CIF Information Card
Information card for 2013801
2013800 << 2013801 >> 2013802Preview
|
Coordinates |
2013801.cif |
|
Structure factors |
2013801.hkl |
Structure parameters
| Formula | - C7 H5 I2 N O3 - |
| Calculated formula | - C7 H5 I2 N O3 - |
| Title of publication | Three-dimensional aggregation in 2-hydroxy-3-iodo-5-nitrobenzaldehyde involving C-H...O, iodo-nitro and aromatic π‒π stacking interactions, and isolated dimers in disordered 2,4-diiodo-6-nitroanisole |
| Authors of publication | Garden, Simon J.; Cunha, Fernando R. da; Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L. |
| Journal of publication | Acta Crystallographica, Section C |
| Year of publication | 2004 |
| Journal volume | 60 |
| Pages of publication | o12 - o14 |
| a | 32.999 ± 0.002 Å |
| b | 4.2305 ± 0.0003 Å |
| c | 14.8328 ± 0.0011 Å |
| α | 90° |
| β | 95.225 ± 0.002° |
| γ | 90° |
| Cell volume | 2062.1 ± 0.2 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 5 |
| Hermann-Mauguin symmetry space group | C 1 2/c 1 |
| Hall symmetry space group | -C 2yc |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |