Crystallography Open Database
| COD Home |
|---|
| Accessing COD Data |
|---|
| Add Your Data |
|---|
| Documentation |
|---|
CIF Information Card
Information card for 2014739
2014738 << 2014739 >> 2014740Preview
|
Coordinates |
2014739.cif |
|
Structure factors |
2014739.hkl |
Structure parameters
| Formula | - C8 H4 F2 N2 O3 - |
| Calculated formula | - C8 H4 F2 N2 O3 - |
| Title of publication | 3,3-Difluoro-5-nitro-1<i>H</i>-indol-2(3<i>H</i>)-one: sheets of <i>R</i>~2~^2^(8) and <i>R</i>~4~^6^(34) rings built from three-centre N—H...(O)~2~ hydrogen bonds |
| Authors of publication | Glidewell, Christopher; Low, John N.; Wardell, James L. |
| Journal of publication | Acta Crystallographica, Section C |
| Year of publication | 2005 |
| Journal volume | 61 |
| Pages of publication | o57 - o59 |
| a | 11.0529 ± 0.0004 Å |
| b | 15.4381 ± 0.0006 Å |
| c | 9.2768 ± 0.0004 Å |
| α | 90° |
| β | 90.951 ± 0.002° |
| γ | 90° |
| Cell volume | 1582.74 ± 0.11 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 5 |
| 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 |