Synthesis, antibacterial evaluation, Raman, crystal structure and Hirshfeld surface analysis of a new 3-(4-fluorophenyl)-6-methyl-2-(propylthio)quinazolin-4(3H)-one
| hal.structure.identifier | Department of Chemistry | |
| dc.contributor.author | GEESI, Mohammed | |
| hal.structure.identifier | Department of Pharmaceutical Chemistry | |
| dc.contributor.author | RIADI, Yassine | |
| hal.structure.identifier | Department of Physic | |
| dc.contributor.author | KAIBA, Abdellah | |
| hal.structure.identifier | Department of Chemistry | |
| dc.contributor.author | ANOUAR, El Hassane | |
| hal.structure.identifier | Department of Physic | |
| hal.structure.identifier | Université de Tunis El Manar [UTM] | |
| dc.contributor.author | OUERGHI, Oussama | |
| hal.structure.identifier | Department of Pharmaceutics | |
| hal.structure.identifier | Department of Medical Microbiology | |
| dc.contributor.author | IBNOUF, Elmutasim | |
| hal.structure.identifier | Institut de Chimie de la Matière Condensée de Bordeaux [ICMCB] | |
| dc.contributor.author | GUIONNEAU, Philippe | |
| dc.date.issued | 2020-09 | |
| dc.identifier.issn | 0022-2860 | |
| dc.description.abstractEn | An efficient route was reported for synthesis of a novel 3-(4-fluorophenyl)-6-methyl-2-(propylthio)quinazolin-4(3H)-one. The synthesized compound was prepared by a sulphur arylation reaction and was tested against some bacterial strains. Raman analysis was conducted on the synthesized derivative, which had the following properties: empirical formula (C18H17Cl N2 O), system (monoclinic), space group (P21/c), unit parameters cell (a = 12.7137(7) Å, b = 7.5018(4) Å, c = 17.1209(9) Å and β =11.0042(15)°), volume (V = 1524.42 Å3), Z = 4, temperature (150 (2) K). The single crystal structure was resolved and refined to (R = 0.0374, wR = 0.1040). The non-hydrogen atoms were refined anisotropically and the hydrogen atoms were placed theoretically. The Hirshfeld surface and fingerprint plots were obtained. The electrostatic potential surface (ESP) was also derived using the density functional theory method. | |
| dc.language.iso | en | |
| dc.publisher | Elsevier | |
| dc.subject.en | 3-(4-Fluorophenyl)-6-methyl-2-(propylthio)quinazolin-4(3H)-one | |
| dc.subject.en | Antibacterial | |
| dc.subject.en | Crystal structure | |
| dc.subject.en | Hirshfeld surface analysis | |
| dc.subject.en | Electrostatic potential surface | |
| dc.title.en | Synthesis, antibacterial evaluation, Raman, crystal structure and Hirshfeld surface analysis of a new 3-(4-fluorophenyl)-6-methyl-2-(propylthio)quinazolin-4(3H)-one | |
| dc.type | Article de revue | |
| dc.identifier.doi | 10.1016/j.molstruc.2020.128265 | |
| dc.subject.hal | Chimie/Matériaux | |
| bordeaux.journal | Journal of Molecular Structure | |
| bordeaux.page | 128265 (7 p.) | |
| bordeaux.volume | 1215 | |
| bordeaux.peerReviewed | oui | |
| hal.identifier | hal-02613514 | |
| hal.version | 1 | |
| hal.popular | non | |
| hal.audience | Internationale | |
| hal.origin.link | https://hal.archives-ouvertes.fr//hal-02613514v1 | |
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