Synthesis, antibacterial evaluation, Crystal Structure and Hirshfeld surface analysis of a new 2-benzylsulfanyl-3-(4-fluoro-phenyl)-6-methyl-3H-quinazolin-4-one

Abstract An efficient strategy to access a new 2-Benzylsulfanyl-3-(4-fluoro-phenyl)-6-methyl-3H-quinazolin-4-one was investigated. The targeted derivative was synthesized by the S-arylation method, the remarkable features of which are a simple procedure and high conversion with short reaction time. The resultant derivative was assessed against bacterial strains. An empirical formula (C22 H17 F N2 O S), system (orthorhombic), space group (P212121), unit parameters cell (a = 5.187 (5) A, b = 15.754 (5) A, c = 22.958 (5) A), volume (1876.0 (19) A3), Z =  = 4, and temperature (293 (2) K) were utilised. A single crystal structure was solved and refined to (R = 0.0466, wR = 0.1203). The non-hydrogen atoms were refined anisotropically, and the hydrogen atoms were placed theoretically. Hirshfeld surface and fingerprint plots were obtained, and the electrostatic potential surface (ESP) was determined by using the density functional theory method.