Crystal structure and Hirshfeld surface analysis of 3-methyl-4-oxo-N-phenyl-3,4-di-hydro-quinazoline-2-carbo-thio-amide.

ABSTRACT: The asymmetric unit of the title compound, C₁₆H₁₃N₃OS, comprises two mol-ecules (A and B) with similar conformations that differ mainly in the orientation of the phenyl group relative to the rest of the mol-ecule, as expressed by the C_thio-amide-N_thio-amide-C_phen-yl-C_phen-yl torsion angle of 49.3 (3)° for mol-ecule A and of 5.4 (3)° for mol-ecule B. In the crystal, two inter-molecular N-H⋯N hydrogen bonds lead to the formation of a dimer with R ₂ ²(10) graph-set notation. A Hirshfeld surface analysis revealed that H⋯H inter-actions are the most important inter-molecular inter-actions, contributing 40.9% to the Hirshfeld surface.

SUBMITTER: Pirnazarova N 

PROVIDER: S-EPMC8739201 | biostudies-literature |

REPOSITORIES: biostudies-literature