Structural, Hirshfeld surface and three-dimensional interaction energy studies of 2-(6-iodo-4-oxo-3,4-dihydroquinazolin-3-yl)ethanesulfonyl fluoride.

In the crystal, molecules of the title compound, C10H8FIN2O3S, are connected through C--H• • •N and C--H• • •O hydrogen bonds, I• • •O halogen bonds, π-π stacking interactions between the benzene and pyrimidine rings, and edge-toedge electrostatic interactions, as shown by the analysis of the Hirshfeld surface and two-dimensional fingerprint plots, as well as intermolecular interaction energies calculated using the electron-density model at the HF/3-21 G level of theory [ABSTRACT FROM AUTHOR]