Synthesis, Crystal Structure, Hirshfeld Surface Analysis, and Computational Study of a Novel Organic Salt Obtained from Benzylamine and an Acidic Component

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) Muhammad Ashfaq et al.   JOURNAL OF MOLECULAR STRUCTURE

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) Hadi Kargar et al.   Journal of the Iranian Chemical Society

Synthesis of Diaminopyrimidine Sulfonate Derivatives and Exploration of Their Structural and Quantum Chemical Insights via SC-XRD and the DFT Approach

(2021) Akbar Ali et al.   ACS Omega

Potential Third-Order Nonlinear Optical Response Facilitated by Intramolecular Charge Transfer in a Simple Schiff Base Molecule: Experimental and Theoretical Exploration

(2021) Saima Kamaal et al.   ACS Omega

Some new Cu(II) complexes containing O,N-donor Schiff base ligands derived from 4-aminoantipyrine: synthesis, characterization, crystal structure and substitution effect on antimicrobial activity

(2021) Hadi Kargar et al.   JOURNAL OF COORDINATION CHEMISTRY

Titanium(IV) complex containing ONO-tridentate Schiff base ligand: Synthesis, crystal structure determination, Hirshfeld surface analysis, spectral characterization, theoretical and computational studies

(2021) H. Kargar et al.   JOURNAL OF MOLECULAR STRUCTURE

2-Amino-6-methylpyridine based co-crystal salt formation using succinic acid: Single-crystal analysis and computational exploration

(2021) Akbar Ali et al.   JOURNAL OF MOLECULAR STRUCTURE

Crystal, spectroscopic and quantum mechanics studies of Schiff bases derived from 4-nitrocinnamaldehyde

(2021) Friday E. Ani et al.   Scientific Reports

Novel oxovanadium and dioxomolybdenum complexes of tridentate ONO-donor Schiff base ligand: Synthesis, characterization, crystal structures, Hirshfeld surface analysis, DFT computational studies and catalytic activity for the selective oxidation of benzylic alcohols

(2021) Hadi Kargar et al.   INORGANICA CHIMICA ACTA

Ultrasound-based synthesis, SC-XRD, NMR, DFT, HSA of new Schiff bases derived from 2-aminopyridine: Experimental and theoretical studies

(2021) Hadi Kargar et al.   JOURNAL OF MOLECULAR STRUCTURE

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) Abdelmaoujoud Taia et al.   JOURNAL OF MOLECULAR STRUCTURE

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) Hadi Kargar et al.   POLYHEDRON

Efficient Synthesis, SC-XRD, and Theoretical Studies of O-Benzenesulfonylated Pyrimidines: Role of Noncovalent Interaction Influence in Their Supramolecular Network

(2020) Akbar Ali et al.   ACS Omega

Stabilization of Supramolecular Assembly of N‐Substituted Benzylidene Acetohydrazide Analogs by Non‐Covalent Interactions: A Concise Experimental and Theoretical Approach

(2020) Muhammad Khalid et al.   ChemistrySelect

O-4-Acetylamino-benzenesulfonylated pyrimidine derivatives: synthesis, SC-XRD, DFT analysis and electronic behaviour investigation

(2020) Muhammad Khalid et al.   JOURNAL OF MOLECULAR STRUCTURE

Rationalizing the stability and interactions of 2,4-diamino-5-(4-chlorophenyl)-6-ethylpyrimidin-1-ium 2-hydroxy-3,5-dinitrobenzoate salt

(2019) Muhammad Nawaz Tahir et al.   JOURNAL OF MOLECULAR STRUCTURE

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)

(2019) Muhammad Ashfaq et al.   JOURNAL OF MOLECULAR STRUCTURE

Mercury 4.0: from visualization to analysis, design and prediction

(2019) Clare F. Macrae et al.   JOURNAL OF APPLIED CRYSTALLOGRAPHY

Hydrogen bonded 1D-3D supramolecular structures from Benzylamine and organic acidic components

(2018) Xingjun Gao et al.   JOURNAL OF MOLECULAR STRUCTURE

Quantum chemical design of triple hybrid organic, inorganic and organometallic materials: An efficient two-dimensional second-order nonlinear optical material

(2018) Shabbir Muhammad   MATERIALS CHEMISTRY AND PHYSICS

Synthesis, characterization, and antimicrobial activity of two Schiff base silver(I) complexes derived from 4-carboxybenzaldehyde

(2017) Yanbo Zhang et al.   JOURNAL OF COORDINATION CHEMISTRY

Crystal structures of seven molecular salts derived from benzylamine and organic acidic components

(2017) Xianhong Wen et al.   JOURNAL OF MOLECULAR STRUCTURE

Synthesis, physicochemical elucidation, biological screening and molecular docking studies of a Schiff base and its metal(II) complexes

(2017) Abdur Rauf et al.   Arabian Journal of Chemistry

DFT and TDDFT investigation of the Schiff base formed by tacrine and saccharin

(2016) Nursel Acar et al.   JOURNAL OF MOLECULAR MODELING

cis-Dioxido-molybdenum(VI) complexes of tridentate ONO hydrazone Schiff base: Synthesis, characterization, X-ray crystal structure, DFT calculation and catalytic activity

(2015) S. Yousef Ebrahimipour et al.   INORGANICA CHIMICA ACTA

Second-order nonlinear optical properties of dithienophenazine and TTF derivatives: A butterfly effect of dimalononitrile substitutions

(2015) Shabbir Muhammad   JOURNAL OF MOLECULAR GRAPHICS & MODELLING

Crystal structure refinement withSHELXL

(2015) George M. Sheldrick   Acta Crystallographica Section C-Structural Chemistry

Synthesis, characterization and biological activity of two Schiff base ligands and their nickel(II), copper(II), zinc(II) and cadmium(II) complexes derived from S-4-picolyldithiocarbazate and X-ray crystal structure of cadmium(II) complex derived from pyridine-2-carboxaldehyde

(2014) Teng-Jin Khoo et al.   INORGANICA CHIMICA ACTA

WinGXandORTEP for Windows: an update

(2012) Louis J. Farrugia   JOURNAL OF APPLIED CRYSTALLOGRAPHY

Visualisation and characterisation of voids in crystalline materials

(2010) Michael J. Turner et al.   CRYSTENGCOMM

Structure validation in chemical crystallography

(2009) Anthony L. Spek   ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY

Synthesis, crystal structures and photochromic properties of novel chiral Schiff base macrocycles

(2009) Koichi Tanaka et al.   TETRAHEDRON LETTERS

Hirshfeld surface analysis

(2008) Mark A. Spackman et al.   CRYSTENGCOMM