Synthesis, antibacterial evaluation, Raman, Crystal Structure and Hirshfeld Surface analysis of a new 3-(4-fluorophenyl)-6-methyl-2-(propylthio)quinazolin-4(3H)-one

被引：14

作者：

Geesi, Mohammed H. ^{[1
]}

Riadi, Yassine ^{[2
]}

Kaiba, Abdellah ^{[3
]}

Anouar, El Hassane ^{[1
]}

Ouerghi, Oussama ^{[3
,4
]}

Ibnouf, Elmutasim O. ^{[5
,6
]}

Guionneau, Philipe ^{[7
]}

机构：

[1] Prince Sattam Bin Abdulaziz Univ, Coll Sci & Humanities Al Kharj, Dept Chem, Al Kharj 11942, Saudi Arabia

[2] Prince Sattam Bin Abdulaziz Univ, Coll Pharm, Dept Pharmaceut Chem, Al Kharj 11942, Saudi Arabia

[3] Prince Sattam Bin Abdulaziz Univ, Coll Sci & Humanities Al Kharj, Dept Phys, Al Kharj 11942, Saudi Arabia

[4] Univ Tunis El Manar, Tunis 1068, Tunisia

[5] Prince Sattam Bin Abdulaziz Univ, Coll Pharm, Dept Pharmaceut, Al Kharj 11942, Saudi Arabia

[6] Omdurman Islamic Univ, Fac Med Lab Sci, Dept Med Microbiol, Omdurman, Sudan

[7] Univ Bordeaux, CNRS, ICMCB, UPR 9048, 87 Ave Docteur Schweitzer, F-33600 Pessac, France

来源：

JOURNAL OF MOLECULAR STRUCTURE | 2020年 / 1215卷

关键词：

3-(4-Fluorophenyl)-6-methyl-2(propylthio)quinazolin-4(3H)-one; Antibacterial Crystal structure; Hirshfeld surface analysis; Electrostatic potential surface; PALLADIUM; DESIGN;

D O I：

10.1016/j.molstruc.2020.128265

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

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 N-2 O), system (monoclinic), space group (P2(1/c)), unit parameters cell (a = 12.7137(7) angstrom, b = 7.5018(4) angstrom, c = 17.1209(9) angstrom and beta = 11.0042(15)degrees), volume (V = 1524.42 angstrom(3)), 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. (C) 2020 Elsevier B.V. All rights reserved.

引用

页数：7

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