Synthesis, Crystal Structure, DFT Calculations and Hirshfeld Surface Analysis of 3-Chloro-2,6-Bis(4-Chlorophenyl)-3-Methylpiperidin-4-One

被引：0
|
作者：
Arulraj Ramalingam
Sevgi Kansız
Necmi Dege
Sivakumar Sambandam
机构：
[1] National University of Singapore,Department of Electrical and Computer Engineering
[2] Samsun University,Department of Fundamental Sciences, Faculty of Engineering
[3] Ondokuz Mayıs University,Department of Physics, Faculty of Arts and Sciences
[4] Bharathiar University,Research and Development Centre
来源：
Journal of Chemical Crystallography | 2021年 / 51卷
关键词：
Piperidin-4-one; DFT; HOMO-LUMO; MEP; Hirshfeld surface analysis; DFT/B3LYP/6-31+G(d,p);
D O I：
暂无
中图分类号：
学科分类号：
摘要：
引用
收藏
页码：273 / 287
页数：14
相关论文
共 50 条
  • [41] Crystal structure, Hirshfeld surface analysis and DFT studies of N-(4-acetylphenyl)quinoline-3-carboxamide
    Polo-Cuadrado, Efrain
    Ferrer, Karoll
    Osorio, Edison
    Brito, Ivan
    Cisterna, Jonathan
    Gutierrez, Margarita
    JOURNAL OF MOLECULAR STRUCTURE, 2021, 1246 (1246)
  • [42] 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
    Bansal, Ravi
    Butcher, Ray J.
    Gupta, Sushil K.
    ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, 2023, 79 : 877 - +
  • [43] Crystal structure and Hirshfeld surface analysis of 4-{2,2-dichloro-1 -[(E)-(4-chlorophenyl)diazenyl]-ethenyl}-N,N-dimethylaniline
    Atioglu, Zeliha
    Akkurt, Mehmet
    Shikhaliyev, Namiq Q.
    Mukhtarova, Sevinc H.
    Suleymanova, Gulnar T.
    Toze, Flavien A. A.
    ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, 2020, 76 : 1033 - +
  • [44] Crystal structure elucidation, Hirshfeld surface analysis, and DFT studies of a N-benzyl-3-phenylquinoxalin-2-amine
    Akhileshwari, P.
    Kiran, K. R.
    Sridhar, M. A.
    Sadashiva, M. P.
    JOURNAL OF MOLECULAR STRUCTURE, 2022, 1253
  • [45] N-acetyl-5-isopropyl-2-tioxoimidazolidin-4-one: Synthesis, spectroscopic characterization, crystal structure, DFT calculations, Hirshfeld surface analysis and energy framework study
    Delgado, Gerzon E.
    Mora, Asiloe J.
    Seijas, Luis E.
    Almeida, Rafael
    Chacon, Cecilia
    Azotla-Cruz, Liliana
    Cisterna, Jonathan
    Cardenas, Alejandro
    Brito, Ivan
    JOURNAL OF MOLECULAR STRUCTURE, 2020, 1219
  • [46] Synthesis, molecular structure, Hirshfeld surface, energy framework and DFT studies of 1,3,4 oxadiazole derivative
    Lohith, T. N.
    Shamanth, S.
    Sridhar, M. A.
    Mantelingu, K.
    Lokanath, N. K.
    JOURNAL OF MOLECULAR STRUCTURE, 2022, 1252
  • [47] Synthesis, crystal structure, DFT studies, Hirshfeld surface analysis and drug delivery performance of bis(2-chloro-4,6-diaminopyrimidine)copper(II)-dichloride
    Yagci, Nermin Kahveci
    Kansiz, Sevgi
    ozcandan, Eda
    JOURNAL OF MOLECULAR STRUCTURE, 2021, 1246
  • [48] Synthesis, crystal structure and Hirshfeld surface analysis of N-(4-chlorophenyl)-5-cyclopropyl-1-(4-methoxyphenyl)-1H-1,2,3-triazole-4-carboxamide
    Pokhodylo, Nazariy
    Slyvka, Yurii
    Pavlyuk, Volodymyr
    ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, 2020, 76 : 756 - +
  • [49] Crystal structure elucidation, Hirshfeld surface analysis, and DFT studies of a N-benzyl-3-phenylquinoxalin-2-amine
    Akhileshwari, P.
    Kiran, K. R.
    Sridhar, M. A.
    Sadashiva, M. P.
    JOURNAL OF MOLECULAR STRUCTURE, 2022, 1253
  • [50] Synthesis, Crystal Structure, Hirshfeld Surface Analysis, DNA/BSA Interaction and Molecular Docking Studies of 2-(6-(4-chlorophenyl)-1,2,4-triazin-3-yl)quinoline
    Gokturk, Tolga
    Zengin, Talip
    Hokelek, Tuncer
    Topkaya, Cansu Gokce
    Gup, Ramazan
    JOURNAL OF MOLECULAR STRUCTURE, 2023, 1292
12345