Synthesis, antibacterial evaluation, crystal structure and molecular interactions analysis of new 6-Bromo-2–chloro–3-butylquinazolin-4(3 H )-one
Idioma
en
Article de revue
Este ítem está publicado en
Journal of Molecular Structure. 2021, vol. 1225, p. 129166
Elsevier
Resumen en inglés
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 ...Leer más >
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) Å, b = 11.4764(2) Å, c = 12.1670(3) Å), volume (638.11(4) Å3), α= 110.079(8)°, β= 93.8130(10)°, γ = 95.4580(10)° and Z = 2. The crystal packing was stabilized by C = O…H hydrogen bonds and CH3CH2CH2CH2CHH….C π-stacking interaction and hydrogen π-π 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.< Leer menos
Palabras clave en inglés
6‑bromo‑2‑chloro‑3-butylquinazolin-4(3h)-one
Antibacterial
Crystal structure
Hirshfeld surface analysis
Orígen
Importado de HalCentros de investigación