Crystal structure, Hirshfeld surface analysis and DFT calculations of 7-bromo-2,3-di-hydro-pyrrolo[2,1-]quinazolin-9(1)-one.

The mol-ecular structure of the title compound, CHBrNO, is almost planar. The benzene and pyrimidine rings are essentially coplanar, with r.m.

(E)-3-[4-(Dimethyl-amino)-benzyl-idene]-2,3-di-hydro-1H,9H-pyrrolo-[2,1-b]quinazolin-9-one.

The title compound, C(20)H(19)N(3)O, was obtained by condensation of 2,3-dihydro-1H,9H-pyrrolo-[2,1-b]quinazolin-9-one (alkaloid de-oxy-vasicinone, isolated from Peganum Harmala) with 4-(dimethyl-amino)-benzaldehyde in the presence of sodium methoxide. The 2,3-dihydro-1H,9H-pyrrolo-[2,1-b]quinazolin-9-one part of the mol-ecule is roughly planar (r.m.