Crystallography Open Database
| COD Home |
|---|
| Accessing COD Data |
|---|
| Add Your Data |
|---|
| Documentation |
|---|
CIF Information Card
Information card for 2014326
2014325 << 2014326 >> 2014327Preview
|
Coordinates |
2014326.cif |
|
Structure factors |
2014326.hkl |
Structure parameters
| Common name | 2-mercaptothiazoline |
| Formula | - C3 H5 N S2 - |
| Calculated formula | - C3 H5 N S2 - |
| Title of publication | A triclinic polymorph of 1,3-thiazolidine-2-thione (2-mercaptothiazoline) |
| Authors of publication | Corrêa, Rodrigo S.; Santana, Sarita A.; Salloum, Rogêrio; Silva, Rosalice M.; Doriguetto, Antônio C. |
| Journal of publication | Acta Crystallographica, Section C |
| Year of publication | 2006 |
| Journal volume | 62 |
| Pages of publication | o115 - o117 |
| a | 5.4845 ± 0.0002 Å |
| b | 6.4997 ± 0.0003 Å |
| c | 7.6758 ± 0.0003 Å |
| α | 84.121 ± 0.002° |
| β | 73.816 ± 0.003° |
| γ | 71.792 ± 0.003° |
| Cell volume | 249.587 ± 0.018 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 4 |
| Hermann-Mauguin symmetry space group | P -1 |
| Hall symmetry space group | -P 1 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |