Crystallography Open Database
| COD Home |
|---|
| Accessing COD Data |
|---|
| Add Your Data |
|---|
| Documentation |
|---|
CIF Information Card
Information card for 2200131
2200130 << 2200131 >> 2200132Preview
|
Coordinates |
2200131.cif |
|
Structure factors |
2200131.hkl |
Structure parameters
| Common name | 2,2'-(Cinnamylisoindolin-1,3-diylidene)bispropanedinitrile |
| Formula | - C23 H13 N5 - |
| Calculated formula | - C23 H13 N5 - |
| Title of publication | 2,2'-{2-[(E)-3-phenylprop-2-enyl]-2,3-dihydro-1H-isoindol-1,3-diylidene}- dimalononitrile, a π-deficient system for π...π (1:1) stacking investigations |
| Authors of publication | Crean, Colm; Gallagher, John F.; Pratt, Albert C. |
| Journal of publication | Acta Crystallographica, Section E |
| Year of publication | 2001 |
| Journal volume | 57 |
| Pages of publication | o236 - o238 |
| a | 14.3872 ± 0.0018 Å |
| b | 8.2696 ± 0.001 Å |
| c | 16.1442 ± 0.0015 Å |
| α | 90° |
| β | 108.327 ± 0.007° |
| γ | 90° |
| Cell volume | 1823.4 ± 0.4 Å3 |
| Cell temperature | 296 ± 1 K |
| Ambient diffraction temperature | 296 ± 1 K |
| Number of distinct elements | 3 |
| Hermann-Mauguin symmetry space group | P 1 21/n 1 |
| Hall symmetry space group | -P 2yn |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |