OUERGHI, Oussama; GEESI, Mohammed; KAIBA, Abdellah; ANOUAR, El Hassane; AL-TAMIMI, Abdul-Malek; GUIONNEAU, Philippe; IBNOUF, Elmutasim; AZZALLOU, Rachid; BAKHT, Md Afroz; RIADI, Yassine

doi:10.1016/j.molstruc.2020.129166

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OUERGHI, Oussama
Department of Physics
Université de Tunis El Manar [UTM]

GEESI, Mohammed
Department of Chemistry

KAIBA, Abdellah
Department of Physics

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Journal of Molecular Structure. 2021, vol. 1225, p. 129166

Elsevier

Résumé en anglais

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.< Réduire

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6‑bromo‑2‑chloro‑3-butylquinazolin-4(3h)-one

Antibacterial

Crystal structure

Hirshfeld surface analysis

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Synthesis, antibacterial evaluation, crystal structure and molecular interactions analysis of new 6-Bromo-2–chloro–3-butylquinazolin-4(3 H )-one

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