Informace o publikaci
3-(1-Adamantyl)-6-methyl-3-(3-methylbenzyl)isochroman-1-one
| Autoři | |
|---|---|
| Rok publikování | 2009 |
| Druh | Článek v odborném periodiku |
| Časopis / Zdroj | Acta Crystallographica Section E: Structure Reports Online |
| Fakulta / Pracoviště MU | |
| Citace | |
| www | http://journals.iucr.org/e/issues/2009/06/00/pv2152/index.html |
| Obor | Organická chemie |
| Klíčová slova | 3-(1-Adamantyl)-6-methyl-3-(3-methylbenzyl)isochroman-1-one |
| Popis | In the title compound, C28H32O2, the oxanone ring adopts distorted half-boat conformation with the following Cremer and Pople puckering parameters: Q = 0.619 (2) angstrom, theta = 0.75 (19) and phi = 172 (13)degrees. The dihedral angle betwen two benzene rings is 21.32 (7)degrees. The adamantane unit consists of three fused cyclohexane rings in classical chair conformations, with absolute values of C-C-C-C torsion angles in the range 57.5 (2)-60.9 (2)degrees. Weak interactions of the type C-H center dot center dot center dot O link molecules of each enantiomer into chains parallel to the b axis and lying about inversion centers. The crystal packing is also stabilized by intermolecular pi-pi stacking interactions [centroid-centroid distance of 3.8566 (11) angstrom]. |