Structure elucidation {spectroscopic, single crystal X-ray diffraction and computational DFT studies} of new tailored benzenesulfonamide derived Schiff base copper(II) intercalating complexes: Comprehensive biological profile {DNA binding, pBR322 DNA cleavage, Topo I inhibition and cytotoxic activity}

2020 ◽  
Vol 94 ◽  
pp. 103427
Author(s):  
Zeenat Afsan ◽  
Thierry Roisnel ◽  
Sartaj Tabassum ◽  
Farukh Arjmand
Keyword(s):  
Schiff Base ◽  
Single Crystal ◽  
Cytotoxic Activity ◽  
Dna Cleavage ◽  
Structure Elucidation ◽  
Dft Studies ◽  
X Ray Diffraction ◽  
Biological Profile ◽  
X Ray ◽  
Pbr322 Dna

scholarly journals Tetranuclear Cu(ii)-chiral complexes: synthesis, characterization and biological activity

RSC Advances ◽  
2019 ◽  
Vol 9 (42) ◽  
pp. 24087-24091 ◽  
Author(s):  
Krisana Peewasan ◽  
Marcel P. Merkel ◽  
Kristof Zarschler ◽  
Holger Stephan ◽  
Christopher E. Anson ◽  
...  
Keyword(s):  
Biological Activity ◽  
Schiff Base ◽  
Single Crystal ◽  
Cd Spectroscopy ◽  
Schiff Base Complexes ◽  
X Ray Diffraction ◽  
Chiral Complexes ◽  
Enantiomerically Pure ◽  
X Ray

A pair of tetranuclear chiral Cu(ii)-Schiff-base complexes were synthesized using enantiomerically pure (S)-H2L and (R)-H2L ligands. These were characterised using single-crystal X-ray diffraction and CD spectroscopy and their biological activity tested.

scholarly journals H-bonded Chains and Networks: A Recurring Feature in the Solid State Structures of Manganese (III) Carboxylate Schiff Base Complexes

2013 ◽  
Vol 12 (2) ◽  
pp. 8-20
Author(s):  
Biny Sasi ◽  
Swathy S ◽  
Thampidas V S ◽  
Pike D Robert
Keyword(s):  
Schiff Base ◽  
Solid State ◽  
Single Crystal ◽  
Schiff Base Complexes ◽  
X Ray Diffraction ◽  
X Ray ◽  
Distorted Octahedral ◽  
Jahn Teller ◽  
Solid State Structures

Two new manganese(III) Schiff base complexes,  [Mn(salen)(m-NO2-C6H4CO2)(H2O)] (1) and  [Mn(msalen) (p-OH-C6H4CO2)(H2O)] (2), where H2salen = N,N'-bis(salicylidene)-1,2-diaminoethane, H2msalen = N,N'-bis (3-methoxysalicylidene)-1,2-diaminoethane were synthesized from the manganese (II) carboxylates.  Single crystal X-ray diffraction studies show that the Jahn-Teller distorted octahedral complexes are stabilized by              H-bonded chains and networks in the solid state.  

Experimental (13C NMR, 1H NMR, FT-IR, single-crystal X-ray diffraction) and DFT studies on 3,4-bis(isoproylamino)cyclobut-3-ene-1,2-dione

2011 ◽  
Vol 83 (1) ◽  
pp. 472-477 ◽  
Author(s):  
Nevin Süleymanoğlu ◽  
Reşat Ustabaş ◽  
Yelda Bingöl Alpaslan ◽  
Fatih Eyduran ◽  
Cengiz Özyürek ◽  
...  
Keyword(s):  
Single Crystal ◽  
1H Nmr ◽  
13C Nmr ◽  
Dft Studies ◽  
X Ray Diffraction ◽  
X Ray ◽  
Ft Ir

scholarly journals One-Pot Synthesis, X-ray Single Crystal and Molecular Insight of Enaminone-Based β-Morpholino-/N-Methylpiperazinyl-/Pyrrolidinylpropiophenone

Crystals ◽  
2020 ◽  
Vol 10 (4) ◽  
pp. 282
Author(s):  
Assem Barakat ◽  
Saied M. Soliman ◽  
Matti Haukka ◽  
Abdullah Mohammed Al-Majid ◽  
Mohammad Shahidul Islam ◽  
...  
Keyword(s):  
Hydrogen Bonds ◽  
Single Crystal ◽  
Spectroscopic Properties ◽  
Secondary Amines ◽  
Dft Studies ◽  
X Ray Diffraction ◽  
One Pot ◽  
X Ray ◽  
One Pot Synthesis ◽  
Hirshfeld Analysis

One-pot synthesis of three enaminones, (E)-1-(4-chlorophenyl)-3-morpholinoprop-2-en-1-one 1, (E)-1-(4-chlorophenyl)-3-(4-methylpiperazin-1-yl)prop-2-en-1-one 2, and (E)-1-(4-chlorophenyl)-3-(pyrrolidin-1-yl)prop-2-en-1-one 3 were achieved. The synthetic protocol via three components reaction of p-chloroacetophenone with DMFDMA (N,N-dimethylformamid-dimethylacetal) and the corresponding secondary amines (morpholine/N-methylpiperazine/pyrrolidine) in dioxane under heating for 2.5–4 h at 102 °C yielded the requisite enaminones. This protocol has the advantage of no separation of intermediate, no need for column purification with quantitative yield for the target compounds. The chemical features of the β-enaminones 1–3 were assigned by NMR. β-Enaminones 1, and 2 were assigned by single crystal X-ray diffraction technique. The intermolecular interactions in the crystal structures were analyzed quantitatively using Hirshfeld analysis. The Cl…H and O…H hydrogen bonds are common in both compounds while the C-H…π and N…H contacts are more significant in 2 than 1. DFT studies were investigated to show the electronic and spectroscopic properties (NMR and UV-Vis) of the studied systems.

Synthesis, characterization, single crystal X-ray diffraction and DFT studies of ethyl 5-methyl-1-phenyl-1H-pyrazole-4-carboxylate

2016 ◽  
Vol 629 (1) ◽  
pp. 135-145 ◽  
Author(s):  
S. Viveka ◽  
G. Vasantha ◽  
Dinesha ◽  
S. Naveen ◽  
N. K. Lokanath ◽  
...  
Keyword(s):  
Single Crystal ◽  
Dft Studies ◽  
X Ray Diffraction ◽  
X Ray

Structural Properties of Nickel Dimethylglyoxime at High Pressure: Single-Crystal X-ray Diffraction and DFT Studies

2014 ◽  
Vol 118 (42) ◽  
pp. 24705-24713 ◽  
Author(s):  
Ian F. Bruce-Smith ◽  
Boris A. Zakharov ◽  
Jernej Stare ◽  
Elena V. Boldyreva ◽  
Colin R. Pulham
Keyword(s):  
High Pressure ◽  
Single Crystal ◽  
Structural Properties ◽  
Dft Studies ◽  
X Ray Diffraction ◽  
X Ray

Syntheses and crystal structures of ruthenium complexes with bidentate salicylaldiminato and dithiophosphato ligands

2018 ◽  
Vol 73 (5) ◽  
pp. 329-335
Author(s):  
Li-Hua Tang ◽  
Fule Wu ◽  
Hui Lin ◽  
Ai-Quan Jia ◽  
Qian-Feng Zhang
Keyword(s):  
Schiff Base ◽  
Single Crystal ◽  
Crystal Structures ◽  
Schiff Bases ◽  
Ruthenium Complexes ◽  
Molecular Structures ◽  
Carbonyl Complexes ◽  
X Ray Diffraction ◽  
X Ray

AbstractTreatment of the bidentate Schiff base 2-[(2,6-diisopropyl-phenylimino)-methyl]-phenol (HL1) with one equivalent of (Et4N)[RuCl4(MeCN)2] in the presence of triethylamine afforded (Et4N)[RuCl3(κ2-N,O-L1)(MeCN)] (1), which reacted with two equivalents of K[S2P(OiPr)2] to produce a neutral ruthenium(III) complex [Ru(κ2-N,O-L1){η2-S2P(OiPr)2}2] (2) bearing both salicylaldiminato and dithiophosphato ligands. Reactions of the bidentate Schiff bases 2-[(3-chloro-phenylimino)-methyl]-phenol (HL2) and 2-[(2,4,6-trimethyl-phenylimino)-methyl]-phenol (HL3) with one equivalent of [Ru(CO)2Cl2] in the presence of triethylamine led to formation of the corresponding anionic ruthenium(II) carbonyl complexes (Et3NH)[RuCl2(κ2-N,O-L2)(CO)2] (3) and (Et3NH)[RuCl2(κ2-N,O-L3)(CO)2] (4). The molecular structures of complexes 2–4 have been determined by single-crystal X-ray diffraction.

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