Crystallography Open Database
| COD Home |
|---|
| Accessing COD Data |
|---|
| Add Your Data |
|---|
| Documentation |
|---|
CIF Information Card
Information card for 2013155
2013154 << 2013155 >> 2013156Preview
|
Coordinates |
2013155.cif |
|
Structure factors |
2013155.hkl |
Structure parameters
| Formula | - C5 H6 Br N O4 S - |
| Calculated formula | - C5 H6 Br N O4 S - |
| Title of publication | 5-Bromo-2,3-dihydro-4-methyl-3-nitrothiophene 1,1-dioxide |
| Authors of publication | Strauss, Laura H.; Abzianidze, Victoria V.; Berestovitskaya, Valentina M.; Efremova, Irina E. |
| Journal of publication | Acta Crystallographica, Section C |
| Year of publication | 2003 |
| Journal volume | 59 |
| Pages of publication | o177 - o178 |
| a | 5.0733 ± 0.001 Å |
| b | 18.465 ± 0.004 Å |
| c | 10.029 ± 0.002 Å |
| α | 90° |
| β | 115.12 ± 0.03° |
| γ | 90° |
| Cell volume | 850.6 ± 0.3 Å3 |
| Cell temperature | 185 ± 2 K |
| Number of distinct elements | 6 |
| 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 |