Crystal structure of ethyl 2-methyl-5,10-dioxo-4-phenyl-5,10-dihydro-4H-11-thia-1,4a-diazabenzo[b]fluorene-3-carboxylate

Abstract

The title compound, C24H18N2O4S, crystallizes in the orthorhombic P212121 space group, indicating the existence of only one enantiomer with an S configuration of the chiral center in the crystal phase. The dihydropyrimidine ring adopts a twist-boat conformation while the quinone ring is slightly non-planar. In the crystal, molecules are linked by weak C—H...O and C—H...S hydrogen bonds and C—H...π interactions. In addition, a short intermolecular S...N contact of 3.250 (3) Å indicates an interaction between the S atom and the π-system of the thiazole ring.