organic compounds
The title compound, C15H16N2O4S, represents a conformationally restricted dihydropyrimidine analogue of 1,4-dihydropyridine-type calcium antagonists and was selected for a crystal structure determination in order to clarify some aspects of structure-activity relationships. The carbonyl function of the acetyl group is oriented cis with respect to the C2-N3 bond, presumably to avoid repulsive interaction between the negatively charged carbonyl O and thione S atoms.
Supporting information
Crystallographic Information File (CIF) | |
Structure factor file (CIF format) |
CCDC reference: 129214