Crystallography Open Database
| COD Home |
|---|
| Accessing COD Data |
|---|
| Add Your Data |
|---|
| Documentation |
|---|
CIF Information Card
Information card for 2012576
2012575 << 2012576 >> 2012577Preview
|
Coordinates |
2012576.cif |
|
Structure factors |
2012576.hkl |
Structure parameters
| Common name | 4-Trifluoromethylphenylacetonitrile |
| Formula | - C9 H6 F3 N - |
| Calculated formula | - C9 H6 F3 N - |
| Title of publication | [4-(Trifluoromethyl)phenyl]acetonitrile |
| Authors of publication | Boitsov, Stepan; Songstad, Jon; Törnroos, Karl W. |
| Journal of publication | Acta Crystallographica, Section C |
| Year of publication | 2002 |
| Journal volume | 58 |
| Pages of publication | o145 - o147 |
| a | 11.9085 ± 0.0015 Å |
| b | 5.5168 ± 0.0007 Å |
| c | 12.2376 ± 0.0015 Å |
| α | 90° |
| β | 94.67 ± 0.03° |
| γ | 90° |
| Cell volume | 801.3 ± 0.17 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 2 K |
| Number of distinct elements | 4 |
| 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 |