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CIF Information Card
Information card for 2013788
2013787 << 2013788 >> 2013789Preview
|
Coordinates |
2013788.cif |
|
Structure factors |
2013788.hkl |
Structure parameters
| Formula | - C11 H14 Br N O2 - |
| Calculated formula | - C11 H14 Br N O2 - |
| Title of publication | Displaced π‒π stacking and hydrogen bonds in 2-bromo-N-(2-hydroxy-1,1-dimethylethyl)benzamide |
| Authors of publication | Wu, Yao-Wen; Wang, Ru-Ji; Jiang, Yu-Yang; Fu, Hua; Zhao, Yu-Fen |
| Journal of publication | Acta Crystallographica, Section C |
| Year of publication | 2004 |
| Journal volume | 60 |
| Pages of publication | o178 - o179 |
| a | 7.2713 ± 0.001 Å |
| b | 8.586 ± 0.0009 Å |
| c | 9.8424 ± 0.0014 Å |
| α | 77.123 ± 0.011° |
| β | 77.785 ± 0.012° |
| γ | 79.825 ± 0.01° |
| Cell volume | 580.03 ± 0.13 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Hermann-Mauguin symmetry space group | P -1 |
| Hall symmetry space group | -P 1 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |