Synthesis, crystal structure, Hirshfeld surface analysis, DFT calculations, 3D energy frameworks studies of Schiff base derivative 2,2′-((1Z,1′Z)-(1,2-phenylene bis(azanylylidene)) bis(methanylylidene)) diphenol

Journal of Molecular Structure ◽

10.1016/j.molstruc.2021.130910 ◽

2021 ◽

pp. 130910

Author(s):

Chandini KM ◽

Fares Hezam Al-Ostoot ◽

Eman E. Shehata ◽

Nuha Y. Elamin ◽

Hela Ferjani ◽

...

Keyword(s):

Crystal Structure ◽

Schiff Base ◽

Dft Calculations ◽

Surface Analysis ◽

Hirshfeld Surface ◽

Hirshfeld Surface Analysis ◽

Base Derivative

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Synthesis, crystal structure, DFT calculations, Hirshfeld surface analysis, energy frameworks, molecular dynamics and docking studies of novel isoxazolequinoxaline derivative (IZQ) as anti-cancer drug

Journal of Molecular Structure ◽

10.1016/j.molstruc.2021.130004 ◽

2021 ◽

Vol 1232 ◽

pp. 130004

Author(s):

Nadeem Abad ◽

Hamdi Hamid Sallam ◽

Fares Hezam Al-Ostoot ◽

Hussien Ahmed Khamees ◽

Sultan A. Al-horaibi ◽

...

Keyword(s):

Crystal Structure ◽

Molecular Dynamics ◽

Dft Calculations ◽

Surface Analysis ◽

Docking Studies ◽

Hirshfeld Surface ◽

Hirshfeld Surface Analysis ◽

Cancer Drug ◽

Anti Cancer

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Synthesis, X-ray crystal structure and BVS calculation of Co(II) complex of pyrimidine derived Schiff base ligand: Approached by Hirshfeld surface analysis and TDDFT calculation

Journal of Molecular Structure ◽

10.1016/j.molstruc.2021.130269 ◽

2021 ◽

Vol 1236 ◽

pp. 130269

Author(s):

Kinsuk Das ◽

Malay Dolai ◽

Sudipta Chatterjee ◽

Saugata Konar

Keyword(s):

Crystal Structure ◽

Schiff Base ◽

Surface Analysis ◽

Schiff Base Ligand ◽

Hirshfeld Surface ◽

Hirshfeld Surface Analysis ◽

X Ray

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A new complex of Zinc (II) with sulfamethoxazole ligand: Synthesis, crystal structure, Hirshfeld surface analysis, thermal properties, DFT calculations and antibacterial/antifungal activities

Journal of Molecular Structure ◽

10.1016/j.molstruc.2021.130903 ◽

2021 ◽

pp. 130903

Author(s):

Imane Habila ◽

Mouna Saoudi ◽

Fadila Berrah ◽

Belkacem Benmerad ◽

Mhamed Boudraa ◽

...

Keyword(s):

Crystal Structure ◽

Thermal Properties ◽

Dft Calculations ◽

Surface Analysis ◽

Hirshfeld Surface ◽

Hirshfeld Surface Analysis ◽

Antifungal Activities ◽

Ligand Synthesis

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Synthesis, crystal structure determination, Hirshfeld surface analysis, spectral characterization, theoretical and computational studies of titanium(IV) Schiff base complex

Journal of Coordination Chemistry ◽

10.1080/00958972.2021.1972984 ◽

2021 ◽

pp. 1-19

Author(s):

Hadi Kargar ◽

Mehdi Fallah-Mehrjardi ◽

Reza Behjatmanesh-Ardakani ◽

Muhammad Nawaz Tahir ◽

Muhammad Ashfaq ◽

...

Keyword(s):

Crystal Structure ◽

Schiff Base ◽

Surface Analysis ◽

Structure Determination ◽

Schiff Base Complex ◽

Hirshfeld Surface ◽

Spectral Characterization ◽

Hirshfeld Surface Analysis ◽

Computational Studies ◽

Base Complex

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Synthesis, crystal structure, Hirshfeld surface analysis and DFT calculations of 2-[(2,3-dimethylphenyl)amino]-N’-[(E)-thiophen-2-ylmethylidene]benzohydrazide

Journal of Molecular Structure ◽

10.1016/j.molstruc.2019.127654 ◽

2020 ◽

Vol 1205 ◽

pp. 127654 ◽

Cited By ~ 7

Author(s):

Mustafa R. Albayati ◽

Sevgi Kansız ◽

Necmi Dege ◽

Savaş Kaya ◽

Riadh Marzouki ◽

...

Keyword(s):

Crystal Structure ◽

Dft Calculations ◽

Surface Analysis ◽

Hirshfeld Surface ◽

Hirshfeld Surface Analysis

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The structural study, Hirshfeld surface analysis, and DFT calculations of ferrocenyl-hydrazine Schiff base: A novel precursor for the selective preparation of Fe2O3 nanoparticles

Journal of Molecular Structure ◽

10.1016/j.molstruc.2019.06.109 ◽

2019 ◽

Vol 1197 ◽

pp. 96-107 ◽

Cited By ~ 1

Author(s):

Sakineh Parvarinezhad ◽

Mehdi Salehi ◽

Shahin Kademinia ◽

Maciej Kubicki

Keyword(s):

Schiff Base ◽

Dft Calculations ◽

Surface Analysis ◽

Structural Study ◽

Hirshfeld Surface ◽

Hirshfeld Surface Analysis ◽

Fe2o3 Nanoparticles

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Synthesis, crystal structure, spectroscopic characterization, Hirshfeld surface analysis, molecular docking studies and DFT calculations, and antioxidant activity of 2-oxo-1,2-dihydroquinoline-4-carboxylate derivatives

Journal of Molecular Structure ◽

10.1016/j.molstruc.2019.03.103 ◽

2019 ◽

Vol 1188 ◽

pp. 255-268 ◽

Cited By ~ 11

Author(s):

Yassir Filali Baba ◽

Yusuf Sert ◽

Youssef Kandri Rodi ◽

Sonia Hayani ◽

Joel T. Mague ◽

...

Keyword(s):

Crystal Structure ◽

Antioxidant Activity ◽

Molecular Docking ◽

Dft Calculations ◽

Surface Analysis ◽

Spectroscopic Characterization ◽

Docking Studies ◽

Hirshfeld Surface ◽

Hirshfeld Surface Analysis ◽

Molecular Docking Studies

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Crystal structure, Hirshfeld surface analysis, DFT calculations and molecular docking studies on pyridine derivatives as potential inhibitors of NAMPT

Chemical Data Collections ◽

10.1016/j.cdc.2019.100262 ◽

2019 ◽

Vol 23 ◽

pp. 100262

Author(s):

M. Venkateshan ◽

R. Vishnu Priya ◽

M. Muthu ◽

J. Suresh ◽

R. Ranjith Kumar

Keyword(s):

Crystal Structure ◽

Molecular Docking ◽

Dft Calculations ◽

Surface Analysis ◽

Docking Studies ◽

Hirshfeld Surface ◽

Hirshfeld Surface Analysis ◽

Pyridine Derivatives ◽

Molecular Docking Studies ◽

Potential Inhibitors

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Synthesis, Crystallographic Structure, Hirshfeld Surface Analysis, and DFT Calculations of Two Salen-Type Hetero-Halogenated Schiff Base Mn(IV)/(III) Complexes

Russian Journal of Coordination Chemistry ◽

10.1134/s1070328420020086 ◽

2020 ◽

Vol 46 (2) ◽

pp. 137-144 ◽

Cited By ~ 1

Author(s):

Q. Wu ◽

J. D. Li ◽

F. X. Liu ◽

J. C. Xiao ◽

Y. F. Tang ◽

...

Keyword(s):

Schiff Base ◽

Dft Calculations ◽

Surface Analysis ◽

Hirshfeld Surface ◽

Hirshfeld Surface Analysis ◽

Crystallographic Structure

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Copper(II) Coordination Complex Constructed from Halogenated Tetradentate Schiff Base Ligand: Synthesis, Crystal Structure, and Hirshfeld Surface Analysis

Crystallography Reports ◽

10.1134/s1063774519060166 ◽

2019 ◽

Vol 64 (6) ◽

pp. 905-909 ◽

Cited By ~ 1

Author(s):

Qiong Wu ◽

Qiaoli Zi ◽

Yongfeng Qiao

Keyword(s):

Crystal Structure ◽

Schiff Base ◽

Surface Analysis ◽

Schiff Base Ligand ◽

Hirshfeld Surface ◽

Hirshfeld Surface Analysis ◽

Coordination Complex ◽

Tetradentate Schiff Base ◽

Ligand Synthesis

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