Beilstein J. Org. Chem.2008,4, No. 43, doi:10.3762/bjoc.4.43
order to simplify the computation, (18 and 19).
At low energies of 34.539 and 34.909 kcal/mol (Figure 2), the “trans” isomer 18 favours a boat conformation, in which the carbon-carbon double bond is above the plane of the ring and the methoxy group is in axial position and as a consequence the vinyl
PDF
Graphical Abstract
Scheme 1:
Synthesis of iodides for radical cyclisation. Reagents and conditions: (i) LiC≡CPh, THF, −78 °C to ...
Beilstein J. Org. Chem.2008,4, No. 23, doi:10.3762/bjoc.4.23
(disordered or too small) were obtained.
Hydrogen bonded dimers possessing inversion centers, Ci dimers, comprised the most popular bonding motif found in the solid state imidazolecarboxamidines. To investigate the nature of this energetic preference we compared by computation the gas-phase stabilities of
PDF
Graphical Abstract
Figure 1: 1: An intuitive prediction regarding the relationship between crude hydrogen bond donor/acceptor di...