Synthesis, antibacterial evaluation, crystal structure and molecular interactions analysis of new 6-Bromo-2?chloro?3-butylquinazolin-4(3H)-one
نویسندگان
چکیده
An efficient process was described to prepare a novel 6?bromo?2?chloro?3-butylquinazolin-4(3H)-one. The targeted compound synthesized from available chemicals and assessed for anti-bacterial activity. This new 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) c 12.1670(3) Å), volume (638.11(4) Å3), ?= 110.079(8)°, ?= 93.8130(10)°, ? 95.4580(10)° Z 2. crystal packing stabilized by C O…H hydrogen bonds CH3CH2CH2CH2CHH….C ?-stacking interaction ?-? stacking interactions. Hirshfeld surfaces their associated two-dimensional fingerprint plots were used analyze intermolecular interactions structure. In addition, electrostatic surface potential (ESP) generated using density functional theory.
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ژورنال
عنوان ژورنال: Journal of Molecular Structure
سال: 2021
ISSN: ['0022-2860', '1872-8014']
DOI: https://doi.org/10.1016/j.molstruc.2020.129166