Structure of 4-(4-methoxyphenyl)hexahydro-1H,3H-pyrido[1,2-c]pyrimidine in the solid state

The symmetry-independent part of the unit cell of 1, C15H16N2O3, consists of two molecules of 1a, 1b. The variations in their geometry affect the location of the resonances in the 13C CP MAS NMR spectrum in different ways. The calculations of shielding constants on the ab initio level of theory allowed for reliable assignments of signals.