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
收藏
页数：7
相关论文
共 50 条
[21]   Crystal structure and Hirshfeld surface analysis of ethyl (3E)-5-(4-fluorophenyl)3-{[(4-methoxyphenyl)formamido]imino}-7-methyl-2H,3H,5H-[1,3]-thiazolo[3,2-a]pyrimidine-6-carboxylate 0.25-hydrate [J].
Mohamed, Shaaban K. ;
Mague, Joel T. ;
Akkurt, Mehmet ;
Alfayomy, Abdallah M. ;
Ragab, Fatma A. F. ;
Abd Ul-Malik, Mokhtar A. .
ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, 2022, 78 :880-+
[22]   Synthesis and Anticonvulsant Evaluation of 3-(5-(4-substitutedphenyl)-4,5-dihydro-1H-pyrazol-3-ylamino)-2-(2-methylphenyl)quinazolin-4(3H)-one Derivatives [J].
Kumar, Sachin ;
Jha, Keshari Kishore ;
Tripathi, Rati Kailash Prasad ;
Kumar, Nishant ;
Chaudhary, Anurag .
INDIAN JOURNAL OF PHARMACEUTICAL EDUCATION AND RESEARCH, 2021, 55 (02) :S595-S604
[23]   6-Amino-2-(4-fluorophenyl)-4-(trifluoromethyl)quinoline: Insight into the Crystal Structure, Hirshfeld Surface Analysis and Computational Study [J].
Babashkina, Maria G. ;
Safin, Damir A. .
POLYCYCLIC AROMATIC COMPOUNDS, 2023, 43 (04) :3324-3341
[24]   SYNTHESIS AND EVALUATION OF BIOLOGICAL PROPERTIES OF 2-(2-(PHENOXY)PYRIDIN-3-YL)QUINAZOLIN-4(3H)-ONE DERIVATIVES [J].
Zhang, Li-qiong ;
Liu, Jia-min ;
Gan, Yi-yuan ;
Shao, Li-hui ;
Fu, Yi-hong ;
Wang, Zhen-chao ;
Ouyang, Gui-ping .
HETEROCYCLES, 2020, 100 (11) :1845-1858
[25]   Synthesis, crystal structure and Hirshfeld surface analysis of N-(4-fluorophenyl)-N-isopropyl-2-(methylsulfonyl)acetamide [J].
Geetha, Doreswamy ;
Kumar, Haleyur G. Anil ;
Kumar, Thaluru M. Mohan ;
Srinivasa, Gejjalagere R. ;
Basavaraju, Yeriyur B. ;
Yathirajan, Hemmige S. ;
Parkin, Sean .
ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, 2023, 79 :512-+
[26]   Synthesis, crystal structure, Hirshfeld surface analysis, DFT and NBO study of ethyl 1-(4-fluorophenyl)-4-[(4-fluorophenyl)amino]-2,6-diphenyl-1,2,5,6-tetrahydropyridine-3-carboxylate [J].
Bansal, Ravi ;
Butcher, Ray J. ;
Gupta, Sushil K. .
ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, 2023, 79 :877-+
[27]   Crystal structure and Hirshfeld surface analysis of 3-[2-(3,5-dimethylphenyl)hydrazinylidene]benzofuran-2(3H)-one [J].
Atioglu, Zeliha ;
Akkurt, Mehmet ;
Shikhaliyev, Namiq Q. ;
Askerova, Ulviyya F. ;
Mukhtarova, Sevinc H. ;
Askerov, Rizvan K. ;
Bhattarai, Ajaya .
ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, 2021, 77 :1280-+
[28]   Synthesis, crystal structure and Hirshfeld surface analysis of 3-(4-fluorophenyl)-2-formyl-7-methylimidazo[1,2-a]pyridin-1-ium chloride monohydrate [J].
Guseinov, Firudin I. ;
Ovsyannikov, Viacheslav O. ;
Sokolovskiy, Pavel V. ;
Sebyakin, Yurii L. ;
Samigullina, Aida I. ;
Akkurt, Mehmet ;
Celikesi, Sevim Turktekin ;
Bhattarai, Ajaya .
ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, 2023, 79 :899-+
[29]   Crystal structure and Hirshfeld surface analysis of (E)-6-(4-hydroxy-3-methoxystyryl)-4,5-dihydropyridazin-3(2H)-one [J].
Daoui, Said ;
Baydere, Cemile ;
El Kalai, Fouad ;
Saddik, Rafik ;
Dege, Necmi ;
Karrouchi, Khalid ;
Benchat, Noureddine .
ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, 2019, 75 :1734-+
[30]   Synthesis, characterization, Hirshfeld surface analysis and molecular docking studies of 3-(cyclohexylthio)-4-hydroxy-6-methyl-2H-chromen-2-one [J].
Sharma, Varun ;
Bhowmick, Anindita ;
Karmakar, Indrajit ;
Brahmachari, Goutam ;
Gupta, Vivek Kumar .
MOLECULAR CRYSTALS AND LIQUID CRYSTALS, 2023, 757 (01) :62-77
12345