An efficient process was described to prepare a novel 6-bromo-2-chloro-3-butylquinazolin-4(3H)-one. The targeted compound was synthesized from available chemicals and assessed for anti-bacterial activity. This new compound structure crystallises in the triclinic system with P-1 space group. Its unit cell parameters are (a = 4.91550(10) angstrom, b = 11.4764(2) angstrom, c = 12.1670(3) angstrom), volume (638.11(4) angstrom(3)), alpha= 110.079(8) degrees, beta= 93.8130(10) degrees, gamma = 95.4580(10) degrees and Z = 2. The crystal packing was stabilized by C = O...H hydrogen bonds and CH3CH2CH2CH2CHH center dot center dot center dot C -stacking interaction and hydrogen pi-pi stacking interactions. Hirshfeld surfaces and their associated two-dimensional fingerprint plots were used to analyze the intermolecular interactions in the crystal structure. In addition, electrostatic surface potential (ESP) was generated using the density functional theory. (c) 2020 Elsevier B.V. All rights reserved.
Synthesis, antibacterial evaluation, crystal structure and molecular interactions analysis of new 6-Bromo-2-chloro-3-butylquinazolin-4(3H)-one
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