Crystallography Open Database
| COD Home |
|---|
| Accessing COD Data |
|---|
| Add Your Data |
|---|
| Documentation |
|---|
CIF Information Card
Information card for 2012523
2012522 << 2012523 >> 2012524Preview
|
Coordinates |
2012523.cif |
|
Structure factors |
2012523.hkl |
Structure parameters
| Formula | - C19 H18 N4 - |
| Calculated formula | - C19 H18 N4 - |
| Title of publication | Supramolecular hydrogen-bonded hexamers in two 5-aryl-3-methyl-1-phenyl-1,6,7,8-tetrahydropyrazolo[3,4-b][1,4]diazepines |
| Authors of publication | Low, John Nicolson; Cobo, Justo; Insuasty, Braulio; Insuasty, Henry; Nogueras, Manuel; Sánchez, Adolfo |
| Journal of publication | Acta Crystallographica, Section C |
| Year of publication | 2002 |
| Journal volume | 58 |
| Pages of publication | o103 - o105 |
| a | 30.5212 ± 0.0007 Å |
| b | 30.5212 ± 0.0007 Å |
| c | 8.8689 ± 0.0002 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 7154.9 ± 0.3 Å3 |
| Cell temperature | 120 ± 1 K |
| Ambient diffraction temperature | 120 ± 1 K |
| Number of distinct elements | 3 |
| Hermann-Mauguin symmetry space group | R -3 :H |
| Hall symmetry space group | -R 3 |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |