Crystallography Open Database
| COD Home |
|---|
| Accessing COD Data |
|---|
| Add Your Data |
|---|
| Documentation |
|---|
CIF Information Card
Information card for 2013125
2013124 << 2013125 >> 2013126Preview
|
Coordinates |
2013125.cif |
|
Structure factors |
2013125.hkl |
Structure parameters
| Common name | 3-Iodonitrobenzene |
| Formula | - C6 H4 I N O2 - |
| Calculated formula | - C6 H4 I N O2 - |
| Title of publication | Secondary interactions in 3-iodo-1-nitrobenzene and 3-iodo-1,5-dinitrobenzene |
| Authors of publication | Merz, Klaus |
| Journal of publication | Acta Crystallographica, Section C |
| Year of publication | 2003 |
| Journal volume | 59 |
| Pages of publication | o65 - o67 |
| a | 5.977 ± 0.003 Å |
| b | 5.224 ± 0.003 Å |
| c | 11.972 ± 0.006 Å |
| α | 90° |
| β | 104.383 ± 0.01° |
| γ | 90° |
| Cell volume | 362.1 ± 0.3 Å3 |
| Cell temperature | 213 ± 2 K |
| Ambient diffraction temperature | 213 ± 2 K |
| Number of distinct elements | 5 |
| Hermann-Mauguin symmetry space group | P 1 21 1 |
| Hall symmetry space group | P 2yb |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |