Synthesis, Characterization, X-Ray, HOMO-LUMO, MEP, FT-IR, NLO, Hirshfeld surface, ADMET, Boiled-Egg Model Properties and Molecular Docking Studies with Human Cyclophilin D (CypD) of a Schiff Base Compound: (E)-1-(5-nitro-2-(piperidin-1-yl)phenyl)-N-(3-nitrophenyl)methanimine

Polyhedron ◽  
2021 ◽  
pp. 115320
Author(s):  
Songül Şahin ◽  
Necmi Dege
Keyword(s):  
Schiff Base ◽  
Molecular Docking ◽  
Docking Studies ◽  
Hirshfeld Surface ◽  
Cyclophilin D ◽  
X Ray ◽  
Ft Ir ◽  
Schiff Base Compound ◽  
Homo Lumo ◽  
Base Compound

A bluish-green emitting organic compound methyl 3-[(E)-(2-hydroxy-1-naphthyl)methylidene]carbazate: spectroscopic, thermal, fluorescence, antimicrobial and molecular docking studies

RSC Advances ◽  
2015 ◽  
Vol 5 (56) ◽  
pp. 44742-44748 ◽  
Author(s):  
G. Gomathi ◽  
T. Srinivasan ◽  
D. Velmurugan ◽  
R. Gopalakrishnan
Keyword(s):  
Schiff Base ◽  
Molecular Docking ◽  
Biological Activities ◽  
Docking Studies ◽  
Slow Evaporation ◽  
Growth Technique ◽  
Bluish Green ◽  
Schiff Base Compound ◽  
Solution Growth Technique ◽  
Base Compound

The present paper describes the physicochemical properties and biological activities of a Schiff base compound which was grown by the slow evaporation solution growth technique.

Electrical property and Schottky behavior of a flexible Schiff-base compound: X-ray structure and stabilization of 1D water chain

2018 ◽  
Vol 20 (38) ◽  
pp. 24744-24749 ◽  
Author(s):  
Basudeb Dutta ◽  
Joydeep Datta ◽  
Suvendu Maity ◽  
Chittaranjan Sinha ◽  
Di Sun ◽  
...  
Keyword(s):  
Schiff Base ◽  
Electrical Property ◽  
Impedance Spectroscopy ◽  
Schottky Diode ◽  
X Ray ◽  
X Ray Crystallography ◽  
Water Chain ◽  
Schiff Base Compound ◽  
Base Compound

A flexible Schiff-base compound has been synthesized and structurally confirmed by X-ray crystallography. The compound behaves as a Schottky diode, as supported by the impedance spectroscopy.

scholarly journals Whole-molecule disorder of the Schiff base compound 4-chloro-N-(4-nitrobenzylidene)aniline: crystal structure and Hirshfeld surface analysis

2020 ◽  
Vol 76 (3) ◽  
pp. 417-422
Author(s):  
Sundararaman Leela ◽  
Ashokkumar Subashini ◽  
Philip Reji ◽  
Kandasami Ramamurthi ◽  
Helen Stoeckli-Evans
Keyword(s):  
Schiff Base ◽  
Surface Analysis ◽  
Crystal Packing ◽  
Minor Component ◽  
Hirshfeld Surface ◽  
Hirshfeld Surface Analysis ◽  
Compound C ◽  
Schiff Base Compound ◽  
Whole Molecule Disorder ◽  
Base Compound

In the crystal of the title Schiff base compound, C13H9ClN2O2, [CNBA; systematic name: (E)-N-(4-chlorophenyl)-1-(4-nitrophenyl)methanimine], the CNBA molecule shows whole-molecule disorder (occupancy ratio 0.65:0.35), with the disorder components related by a twofold rotation about the shorter axis of the molecule. The aromatic rings are inclined to each other by 39.3 (5)° in the major component and by 35.7 (9)° in the minor component. In the crystal, C—H...O hydrogen bonds predominate in linking the major components, while weak C—H...Cl interactions predominate in linking the minor components. The result is the formation of corrugated layers lying parallel to the ac plane. The crystal packing was analysed using Hirshfeld surface analysis and compared with related structures.

Synthesis, Characterization, Antimicrobial Activity and Theoretical Studies of New Polymeric Schiff-base

2019 ◽  
Vol 41 (4) ◽  
pp. 591-591
Author(s):  
Maha Abid Al Hussain Hameed Maha Abid Al Hussain Hameed ◽  
Maida Abdulaa Adnan Maida Abdulaa Adnan
Keyword(s):  
Antimicrobial Activity ◽  
Schiff Base ◽  
Diffusion Method ◽  
Theoretical Studies ◽  
Spectral Techniques ◽  
Ft Ir ◽  
Schiff Base Compound ◽  
Polymeric Schiff Base ◽  
Antibacterial And Antifungal ◽  
Base Compound

A novel Schiff-base compound was synthesized by condensation of 4-hydroxybenzaldehyde and 4-aminoazobenzene. The prepared Schiff-base was converted to a polymer by reaction with formaldehyde and resorcinol. The two types of the prepared compounds were characterized with spectral techniques (FT-IR and 1H-NMR). The biological activity as antibacterial and antifungal was tested using the cork well diffusion method against some standard microorganisms, which indicate that these compounds showed good antimicrobial activity. HyperChem-8 program has been used to determine total energy, LUMO-HOMO, bond length and angles.

scholarly journals A new crystal form and antimicrobial activity of (E)-1-[3-(2-hydroxybenzylideneamino)phenyl]ethanone

2018 ◽  
Vol 74 (7) ◽  
pp. 884-888
Author(s):  
Nabila Moussa Slimane ◽  
Zakaria Bouhidel ◽  
Aouatef Cherouana
Keyword(s):  
Schiff Base ◽  
Salmonella Typhimurium ◽  
Crystal Form ◽  
Hirshfeld Surface ◽  
Space Group ◽  
Compound C ◽  
Graph Set ◽  
Schiff Base Compound ◽  
Supramolecular Chains ◽  
Base Compound

The title Schiff base compound, C15H13NO2, crystallizes in a new crystal form in the space group P212121, which is different from the monoclinic P21/n space group reported previously [De et al. (2009). Indian J. Chem. Sect. B, 48, 595–598]. An intramolecular O—H...N hydrogen bond occurs between the hydroxy and azomethine moieties. In the crystal, molecules are linked by weak C—H...O hydrogen bonds into supramolecular chains propagating along the b-axis direction with a C(8) graph-set motif. The contribution of these two contacts in Hirshfeld surface area are around 19 and 21%, respectively. The title compound was screened for its antibacterial activity against two gram-negative (Escherichia coli and Salmonella typhimurium) and one gram-positive (Staphyloccus aureus) bacteria. The results of this study reveal that this Schiff base shows good activity against only one bacterium, i.e. Salmonella typhimurium.

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