Single Crystal Exploration, Supramolecular Behaviour, Hirshfeld Surface Analysis, Linear and Non-Linear Theoretical Optical properties of Schiff Bases Derived from Benzene Sulfonamides
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R. Behjatmanesh-Ardakani | M. Ashfaq | H. Kargar | M. Nawaz Tahir | K. Munawar | Muhammad Ashfaq | Muhammad Nawaz Tahir
[1] Akbar Ali,et al. Synthesis of Crystalline Fluoro-Functionalized Imines, Single Crystal Investigation, Hirshfeld Surface Analysis, and Theoretical Exploration , 2022, ACS omega.
[2] Saqib Ali,et al. Shedding Light on the Synthesis, Crystal Structure, Characterization, and Computational Study of Optoelectronic Properties and Bioactivity of Imine derivatives , 2022, ACS omega.
[3] R. Behjatmanesh-Ardakani,et al. Synthesis, crystal structure, spectral characterization, theoretical and computational studies of Ni(II), Cu(II) and Zn(II) complexes incorporating Schiff base ligand derived from 4-(diethylamino)salicylaldehyde , 2022, Inorganica Chimica Acta.
[4] Muhammad Imran,et al. Synthesis, characterization and DFT calculated properties of electron-rich hydrazinylthiazoles: Experimental and computational synergy , 2021 .
[5] Q. Hassan,et al. Synthesis, DFT calculations and optical nonlinear properties of two derived Schiff base compounds from ethyl-4-amino benzoate , 2021, Physica Scripta.
[6] R. Behjatmanesh-Ardakani,et al. Synthesis, characterization, SC-XRD, HSA and DFT study of a novel copper(I) iodide complex with 2-(thiophen-2-yl)-4,5-dihydro-1H-imidazole ligand: An experimental and theoretical approach , 2021, Journal of Molecular Structure.
[7] Akbar Ali,et al. Imine-Based Zwitterion: Synthesis, Single-Crystal Characterization, and Computational Investigation , 2021, Journal of Molecular Structure.
[8] Akbar Ali,et al. Single-Crystal Investigation, Hirshfeld Surface Analysis, and DFT Study of Third-Order NLO Properties of Unsymmetrical Acyl Thiourea Derivatives , 2021, ACS omega.
[9] R. Behjatmanesh-Ardakani,et al. Experimental and theoretical studies of new dioxomolybdenum complex: Synthesis, characterization and application as an efficient homogeneous catalyst for the selective sulfoxidation , 2021 .
[10] Muhammad Imran,et al. Synthesis, crystal structure, Hirshfeld surface analysis and theoretical investigation of polynuclear coordination polymers of Cobalt and Manganese complexes with nitrobenzene and pyrazine , 2021, Journal of Molecular Structure.
[11] R. Behjatmanesh-Ardakani,et al. Symmetrical Pd(II) and Ni(II) Schiff base complexes: Synthesis, crystal structure determination, spectral characterization, and theoretical studies , 2021, Journal of Molecular Structure.
[12] R. Behjatmanesh-Ardakani,et al. Synthesis, spectral characterization, SC-XRD, HSA, DFT and catalytic activity of a dioxidomolybdenum complex with aminosalicyl-hydrazone Schiff base ligand: An experimental and theoretical approach , 2021 .
[13] Muhammad Imran,et al. Single crystal inspection, Hirshfeld surface investigation and DFT study of a novel derivative of 4-fluoroaniline: 4-((4-fluorophenyl)amino)-4-oxobutanoic acid (BFAOB) , 2021, Journal of the Iranian Chemical Society.
[14] G. Valarmathy,et al. Schiff bases derived from 4-amino-N-substituted benzenesulfonamide: synthesis, spectral characterisation and MIC evaluation , 2021, Bulletin of the Chemical Society of Ethiopia.
[15] R. Behjatmanesh-Ardakani,et al. Zn(II) complexes containing O,N,N,O-donor Schiff base ligands: synthesis, crystal structures, spectral investigations, biological activities, theoretical calculations and substitution effect on structures , 2021, Journal of Coordination Chemistry.
[16] H. Kargar,et al. Dioxovanadium(V) Complex Incorporating Tridentate ONO Donor Aminobenzohydrazone Ligand: Synthesis, Spectral Characterization and Application as a Homogeneous Lewis Acid Catalyst in the Friedländer Synthesis of Substituted Quinolines , 2021, Polycyclic Aromatic Compounds.
[17] R. Behjatmanesh-Ardakani,et al. Titanium(IV) complex containing ONO-tridentate Schiff base ligand: Synthesis, crystal structure determination, Hirshfeld surface analysis, spectral characterization, theoretical and computational studies , 2021 .
[18] R. Behjatmanesh-Ardakani,et al. Synthesis, spectral characterization, SC-XRD, HSA, DFT and catalytic activity of novel dioxovanadium(V) complex with aminobenzohydrazone Schiff base ligand: An experimental and theoretical approach , 2021 .
[19] R. Behjatmanesh-Ardakani,et al. Diverse coordination of isoniazid hydrazone Schiff base ligand towards iron(III): Synthesis, characterization, SC-XRD, HSA, QTAIM, MEP, NCI, NBO and DFT study , 2021, Journal of Molecular Structure.
[20] R. Behjatmanesh-Ardakani,et al. Binuclear Zn(II) Schiff base complexes: Synthesis, spectral characterization, theoretical studies and antimicrobial investigations , 2021, Inorganica Chimica Acta.
[21] A. Frontera,et al. X-ray characterization, Hirshfeld surface analysis, DFT calculations, in vitro and in silico lipoxygenase inhibition (LOX) studies of dichlorophenyl substituted 3-hydroxy-chromenones , 2021, New Journal of Chemistry.
[22] R. Behjatmanesh-Ardakani,et al. Synthesis, crystal structure determination, Hirshfeld surface analysis, spectral characterization, theoretical and computational studies of titanium(IV) Schiff base complex , 2021, Journal of Coordination Chemistry.
[23] S. Muhammad,et al. Synthesis, Crystal Structure, Hirshfeld Surface Analysis, and Computational Study of a Novel Organic Salt Obtained from Benzylamine and an Acidic Component , 2021, ACS omega.
[24] M. A. Gilani,et al. A Systematic and Comparative Analysis of Four Major Classes of DFT Functionals to Compute Linear and Nonlinear Optical Properties of Benchmark Molecules , 2021, Journal of Computational Biophysics and Chemistry.
[25] T. Hökelek,et al. Syntheses, single crystal X-ray structure, Hirshfeld surface analyses, DFT computations and Monte Carlo simulations of New Eugenol derivatives bearing 1,2,3-triazole moiety , 2021, Journal of Molecular Structure.
[26] Hussein A. Younus,et al. Synthesis of a 2D copper(II)-carboxylate framework having ultrafast adsorption of organic dyes. , 2021, Journal of colloid and interface science.
[27] M. J. Turner,et al. CrystalExplorer: a program for Hirshfeld surface analysis, visualization and quantitative analysis of molecular crystals , 2021, Journal of applied crystallography.
[28] R. Behjatmanesh-Ardakani,et al. Synthesis, crystal structure, theoretical calculation, spectroscopic and antibacterial activity studies of copper(II) complexes bearing bidentate schiff base ligands derived from 4-aminoantipyrine: Influence of substitutions on antibacterial activity , 2021, Journal of Molecular Structure.
[29] Akbar Ali,et al. 2-Amino-6-methylpyridine based co-crystal salt formation using succinic acid: Single-crystal analysis and computational exploration , 2021 .
[30] H. A. Rudbari,et al. Synthesis, characterization, crystal structures, Hirshfeld surface analysis, DFT computational studies and catalytic activity of novel oxovanadium and dioxomolybdenum complexes with ONO tridentate Schiff base ligand , 2021, Polyhedron.
[31] E. Morgunova,et al. Synthesis and Anti-Chlamydial Activity of Substituted N-Benzylanilines , 2021, Pharmaceutical Chemistry Journal.
[32] M. Tahir,et al. Synthesis, spectral characterization, crystal structure determination and antimicrobial activity of Ni(II), Cu(II) and Zn(II) complexes with the Schiff base ligand derived from 3,5-dibromosalicylaldehyde , 2021 .
[33] Jhimli Bhattacharyya,et al. Sulfonamide drugs: structure, antibacterial property, toxicity, and biophysical interactions , 2021, Biophysical Reviews.
[34] Akbar Ali,et al. Pyrimethamine-Based Novel Co-Crystal Salt: Synthesis, Single-Crystal Investigation, Hirshfeld surface analysis and DFT inspection of the 2,4-diamino-5-(4-chlorophenyl)-6-ethylpyrimidin-1-ium 2,4-dichlorobenzoate (1:1) (DECB) , 2021, Journal of Molecular Structure.
[35] R. Behjatmanesh-Ardakani,et al. Ultrasound-based synthesis, SC-XRD, NMR, DFT, HSA of new Schiff bases derived from 2-aminopyridine: Experimental and theoretical studies , 2021 .
[36] M. Tahir,et al. Nickel(II), copper(II) and zinc(II) complexes containing symmetrical Tetradentate Schiff base ligand derived from 3,5-diiodosalicylaldehyde: Synthesis, characterization, crystal structure and antimicrobial activity , 2021, Journal of the Iranian Chemical Society.
[37] V. Mirkhani,et al. Synthesis, characterization, crystal structures, DFT, TD-DFT, molecular docking and DNA binding studies of novel copper(II) and zinc(II) complexes bearing halogenated bidentate N,O-donor Schiff base ligands , 2021, Polyhedron.
[38] A. Al‐Sehemi,et al. Synthesis of Copper(II) Coordination Complex, Its Molecular Docking and Computational Exploration for Novel Functional Properties: A Dual Approach , 2021 .
[39] Akbar Ali,et al. Single crystal investigation, Hirshfeld surface analysis and DFT exploration of the pyrimethamine-based novel organic salt: 2, 4-diamino-5-(4-chlorophenyl)-6-ethylpyrimidin-1-ium 3-carboxybenzoate hydrate (1:1:1) , 2021 .
[40] Muhammad Imran,et al. Facile Ultrasound‐Based Synthesis, SC‐XRD, DFT Exploration of the Substituted Acyl‐Hydrazones: An Experimental and Theoretical Slant towards Supramolecular Chemistry , 2020, ChemistrySelect.
[41] M. Khalid,et al. DFT and single-crystal investigation of the pyrimethamine-based novel co-crystal salt: 2,4-diamino-5-(4-chlorophenyl)-6-ethylpyrimidin-1-ium-4-methylbenzoate hydrate (1:1:1) (DEMH) , 2020 .
[42] Muhammad Imran,et al. Design, facile synthesis, spectroscopic characterization, and medicinal probing of metal‐based new sulfonamide drugs: A theoretical and spectral study , 2020 .
[43] J. Iqbal,et al. Green Synthesis, SC-XRD, Non-Covalent Interactive Potential and Electronic Communication via DFT Exploration of Pyridine-Based Hydrazone , 2020, Crystals.
[44] M. Hafeez,et al. Recurrent π–π stacking motifs in three new 4,5-dihydropyrazolyl–thiazole–coumarin hybrids: X-ray characterization, Hirshfeld surface analysis and DFT calculations , 2020 .
[45] Saqib Ali,et al. Synthesis, spectroscopic characterization, X-ray crystal structure, antimicrobial, DNA-binding, alkaline phosphatase and insulin-mimetic studies of oxidovanadium(IV) complexes of azomethine precursors , 2020 .
[46] M. S. Anwar,et al. Synthesis, characterization and magnetic studies for a series of compounds having a trinuclear bimetallic Cu2(II)/Ln(III) system , 2020, Polyhedron.
[47] B. Champagne,et al. Performance of DFT functionals for calculating the second-order nonlinear optical properties of dipolar merocyanines. , 2020, Physical chemistry chemical physics : PCCP.
[48] A. Al‐Sehemi,et al. Synthesis, characterization, Hirshfeld surface analysis and computational studies of 1-methylpiperazine-1,4-diium bis(hydrogen oxalate): [C5H14N2](HC2O4)2 , 2020, Journal of Molecular Structure.
[49] Zaheer Ul-Haq,et al. Development of sulfonamide-based Schiff bases targeting urease inhibition: Synthesis, characterization, inhibitory activity assessment, molecular docking and ADME studies. , 2020, Bioorganic chemistry.
[50] Patrick McCabe,et al. Mercury 4.0: from visualization to analysis, design and prediction , 2020, Journal of applied crystallography.
[51] S. H. Mirza,et al. DFT and single crystal analysis of the pyrimethamine-based novel co-crystal salt: 2,4-diamino-5-(4-chloro-phenyl)-6-ethylpyrimidin-1-ium:4-hydroxybenzoate:methanol:hydrate (1:1:1:1) (DEHMH) , 2020 .
[52] J. Iqbal,et al. Benchmark study of the linear and nonlinear optical polarizabilities in proto-type NLO molecule of para-nitroaniline , 2019, Journal of Theoretical and Computational Chemistry.
[53] Julio Caballero,et al. Rationalizing the stability and interactions of 2,4-diamino-5-(4-chlorophenyl)-6-ethylpyrimidin-1-ium 2-hydroxy-3,5-dinitrobenzoate salt , 2019, Journal of Molecular Structure.
[54] D. Ahmed,et al. Chemical modification of PVC with Schiff Base Containing a Thiadiazole Moiety and its Influence on the Physicochemical and Morphological Properties , 2019, Research Journal of Pharmacy and Technology.
[55] J. Koh,et al. A combined experimental and computational study of 2,2'-(diazene-1,2-diylbis(4,1-phenylene))bis(6-(butylamino)-1H-benzo[de]isoquinoline-1,3(2H)-dione): Synthesis, optical and nonlinear optical properties , 2019, Optik.
[56] M. Kubicki,et al. Synthesis, characterization and crystal structures of two novel sulfa drug Schiff base ligands derived sulfonamide and molecular docking study , 2019, Journal of Molecular Structure.
[57] Abdullah M. Asiri,et al. Antiradical, antimicrobial and enzyme inhibition evaluation of sulfonamide derived esters; synthesis, X-Ray analysis and DFT studies , 2019, Journal of Molecular Structure.
[58] S. Muhammad. Quantum chemical design of triple hybrid organic, inorganic and organometallic materials: An efficient two-dimensional second-order nonlinear optical material , 2018, Materials Chemistry and Physics.
[59] Saqib Ali,et al. Synthesis, Spectroscopic Characterization and Biological Applications of Novel Zinc Complexes with Schiff Bases , 2018, Key Engineering Materials.
[60] H. Raza,et al. Schiff Bases: Multipurpose Pharmacophores with Extensive Biological Applications , 2018, Journal of Basic & Applied Sciences.
[61] J. Koh,et al. Synthesis, characterisation, optical and nonlinear optical properties of thiazole and benzothiazole derivatives: a dual approach , 2018 .
[62] A. Rauf,et al. Synthesis, physicochemical elucidation, biological screening and molecular docking studies of a Schiff base and its metal(II) complexes , 2017, Arabian Journal of Chemistry.
[63] Diego M. Gil,et al. A detailed exploration of intermolecular interactions in 4-(4-dimethylaminobenzylideneamino)-N-(5-methyl-3-isoxazolyl)benzenesulfonamide and related Schiff bases: Crystal structure, spectral studies, DFT methods, Pixel energies and Hirshfeld surface analysis. , 2017, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.
[64] A. Al‐Sehemi,et al. First principles study for the key electronic, optical and nonlinear optical properties of novel donor-acceptor chalcones. , 2017, Journal of molecular graphics & modelling.
[65] V. McKee,et al. Schiff base triphenylphosphine palladium (II) complexes: Synthesis, structural elucidation, electrochemical and biological evaluation , 2016 .
[66] H. Ebrahimi,et al. Metal-based biologically active azoles and β-lactams derived from sulfa drugs. , 2016, Bioorganic & medicinal chemistry.
[67] Saqib Ali,et al. Investigation of derivatized schiff base ligands of 1,2,4-triazole amine and their oxovanadium(IV) complexes: Synthesis, structure, DNA binding, alkaline phosphatase inhibition, biological screening, and insulin mimetic properties , 2015, Russian Journal of General Chemistry.
[68] A. Kilic,et al. Theoretical and experimental investigation of 4-[(2-hydroxy-3-methylbenzylidene)amino]benzenesulfonamide: Structural and spectroscopic properties, NBO, NLO and NPA analysis , 2015 .
[69] G. Sheldrick. Crystal structure refinement with SHELXL , 2015, Acta crystallographica. Section C, Structural chemistry.
[70] Ahmad Irfan,et al. Quantum chemical design of nonlinear optical materials by sp2-hybridized carbon nanomaterials: issues and opportunities , 2013 .
[71] Markus Grammel,et al. Chemical reporters for biological discovery. , 2013, Nature chemical biology.
[72] A. Faiz,et al. SYNTHESIS, CHARACTERIZATION, THERMAL AND ANTIBACTERIAL STUDY OF A NOVEL SULFONAMIDE DERIVATIVE, W-[(E)-PYRIDIN-3-YLMETHYLIDENE]BENZENESULFONAMIDE, AND ITS CO(II), CU(II) AND ZN(II) COMPLEXES , 2013 .
[73] Louis J. Farrugia,et al. WinGX and ORTEP for Windows: an update , 2012 .
[74] M. Tahir,et al. 4-{[(E)-2,3-Dihydroxybenzylidene]amino}-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide , 2012, Acta crystallographica. Section E, Structure reports online.
[75] M. J. Turner,et al. Visualisation and characterisation of voids in crystalline materials , 2011 .
[76] Z. Chohan,et al. Structure of a New Bioactive Agent Containing Combined Antibacterial and Antifungal Pharmacophore Sites: 4-{[(E)-(5-Bromo-2-hydroxyphenyl)methylidene]amino}-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide , 2011 .
[77] Hoong-Kun Fun,et al. 4-[(2-Hydroxy-5-nitrobenzylidene)amino]benzenesulfonamide , 2010, Acta crystallographica. Section E, Structure reports online.
[78] M. Yıldız,et al. Spectroscopic Studies and Crystal Structure of 4-(2-Hydroxy-3-Methoxybenzylideneamino)-N-(5-Methylisoxazol-3-yl) Benzenesulfonamide , 2010 .
[79] Z. Chohan,et al. 4-[(E)-(5-Bromo-2-hydroxyphenyl)methylideneamino]benzenesulfonamide , 2009, Acta crystallographica. Section E, Structure reports online.
[80] M. Hemamalini,et al. Synthesis and Crystal Structure of a New Schiff Base 4-[(2-hydroxy-benzylidene)-amino]-N-(5-methyl-isoxazol-3-yl)-benzenesulfonamide , 2009 .
[81] Dylan Jayatilaka,et al. Hirshfeld surface analysis , 2009 .
[82] G. Bocelli,et al. Crystal structures of condensation products of 3,5-dibromosalicylic aldehyde with streptocide, norsulfazole, and ethazole , 2006 .
[83] Mehmet Tümer,et al. Cd(II) and Cu(II) complexes of polydentate Schiff base ligands: synthesis, characterization, properties and biological activity , 2005 .
[84] C. Supuran,et al. Protease inhibitors of the sulfonamide type: Anticancer, antiinflammatory, and antiviral agents , 2003, Medicinal research reviews.
[85] M. Spackman,et al. Fingerprinting intermolecular interactions in molecular crystals , 2002 .
[86] Walsh,et al. Asymmetric cyclopropanation of allylic alcohols employing Sulfonamide/Schiff base ligands , 2000, The Journal of organic chemistry.
[87] G. Hitchings. Mechanism of action of trimethoprim-sulfamethoxazole. I. , 1973, The Journal of infectious diseases.
[88] A. Al‐Sehemi,et al. Insighting the functionally modified C60 fullerenes as an efficient nonlinear optical materials: A quantum chemical study , 2022, Materials Science in Semiconductor Processing.
[89] V. Mirkhani,et al. Novel copper(II) and zinc(II) complexes of halogenated bidentate N,O-donor Schiff base ligands: Synthesis, characterization, crystal structures, DNA binding, molecular docking, DFT and TD-DFT computational studies , 2021 .
[90] Muhammad Imran,et al. Synthesis, single-crystal exploration, and theoretical insights of arylsulfonylated 2-amino-6-methylpyrimidin derivatives , 2021 .
[91] R. Behjatmanesh-Ardakani,et al. Sonication-assisted synthesis of new Schiff bases derived from 3-ethoxysalicylaldehyde: Crystal structure determination, Hirshfeld surface analysis, theoretical calculations and spectroscopic studies , 2021 .
[92] A. Frontera,et al. Crystal engineering with pyrazolyl-thiazole derivatives: structure-directing role of π-stacking and σ-hole interactions , 2021, CrystEngComm.
[93] A. Al‐Sehemi,et al. A dual approach to study the key features of nickel (II) and copper (II) coordination complexes: Synthesis, crystal structure, optical and nonlinear properties , 2019, Inorganica Chimica Acta.
[94] M. Mahdi,et al. SYNTHESIS, CHARACTERIZATION AND ANTIBACTERIAL ACTIVITY OF NEW SERIES OF SULFAMETHOXAZOLE DERIVATIVES , 2015 .
[95] Zia-ul-Haq,et al. Synthesis , Spectral Characterization and Antibacterial Study of a Schiff Base Metal Complexes Derived from N-[ ( E )-( 5-Bromo-2-Hydroxyphenyl ) Methylidene ]-4-Nitrobenzenesulfonamide , 2015 .
[96] Santosh Kumar,et al. Synthesis and Antimicrobial Study of Some Schiff Bases of Sulfonamides , 2010 .