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CIF Information Card
Information card for 2012528
2012527 << 2012528 >> 2012529Preview
|
Coordinates |
2012528.cif |
|
Structure factors |
2012528.hkl |
Structure parameters
| Formula | - C7 H4 Br N3 O2 - |
| Calculated formula | - C7 H4 Br N3 O2 - |
| Title of publication | Hydrogen bonding in C-substituted nitroanilines: sheets built from alternating R~2~^2^(12) and R~6~^6^(36) rings in 2-bromo-6-cyano-4-nitroaniline |
| Authors of publication | Glidewell, Christopher; Low, John N.; McWilliam, Susan A.; Skakle, Janet M. S.; Wardell, James L. |
| Journal of publication | Acta Crystallographica, Section C |
| Year of publication | 2002 |
| Journal volume | 58 |
| Pages of publication | o100 - o102 |
| a | 4.2494 ± 0.0002 Å |
| b | 14.9094 ± 0.0007 Å |
| c | 13.0958 ± 0.0007 Å |
| α | 90° |
| β | 96.138 ± 0.002° |
| γ | 90° |
| Cell volume | 824.94 ± 0.07 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| Hermann-Mauguin symmetry space group | P 1 21/n 1 |
| Hall symmetry space group | -P 2yn |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |