Crystallography Open Database
| COD Home |
|---|
| Accessing COD Data |
|---|
| Add Your Data |
|---|
| Documentation |
|---|
CIF Information Card
Information card for 2014409
2014408 << 2014409 >> 2014410Preview
|
Coordinates |
2014409.cif |
|
Structure factors |
2014409.hkl |
Structure parameters
| Common name | 2-amino-4,6-dimethylpyrimidinium picolinate hemihydrate |
| Formula | - C12 H15 N4 O2.5 - |
| Calculated formula | - C12 H15 N4 O2.5 - |
| Title of publication | Hydrogen-bonding patterns in trimethoprim picolinate and 2-amino-4,6-dimethylpyrimidinium picolinate hemihydrate |
| Authors of publication | Madhukar Hemamalini; Packianathan Thomas Muthiah; Daniel E. Lynch |
| Journal of publication | Acta Crystallographica, Section C |
| Year of publication | 2006 |
| Journal volume | 62 |
| Pages of publication | o107 - o110 |
| a | 15.7666 ± 0.0004 Å |
| b | 8.798 ± 0.0001 Å |
| c | 18.5038 ± 0.0004 Å |
| α | 90° |
| β | 102.74 ± 0.001° |
| γ | 90° |
| Cell volume | 2503.55 ± 0.09 Å3 |
| Cell temperature | 120 K |
| Ambient diffraction temperature | 120 K |
| Number of distinct elements | 4 |
| Hermann-Mauguin symmetry space group | C 1 2/c 1 |
| Hall symmetry space group | -C 2yc |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |