Crystallography Open Database
| COD Home |
|---|
| Accessing COD Data |
|---|
| Add Your Data |
|---|
| Documentation |
|---|
CIF Information Card
Information card for 2010697
2010696 << 2010697 >> 2010698Preview
|
Coordinates |
2010697.cif |
|
Structure factors |
2010697.hkl |
Structure parameters
| Formula | - C12 H13 N O4 - |
| Calculated formula | - C12 H13 N O4 - |
| Title of publication | Intermolecular interactions in the chiral and racemic forms of 3-hydroxy-2-(1-oxoisoindolin-2-yl)butanoic acid derived from threonine |
| Authors of publication | Gallagher, John F.; Brady, Fiona; Murphy, Carol |
| Journal of publication | Acta Crystallographica, Section C |
| Year of publication | 2000 |
| Journal volume | 56 |
| Pages of publication | 365 - 368 |
| a | 6.2209 ± 0.0006 Å |
| b | 11.9726 ± 0.0013 Å |
| c | 15.0705 ± 0.0012 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1122.5 ± 0.2 Å3 |
| Cell temperature | 294 ± 1 K |
| Ambient diffraction temperature | 294 ± 1 K |
| Number of distinct elements | 4 |
| Hermann-Mauguin symmetry space group | P 21 21 21 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |