专题:Crystal structures of chemical compounds

This cluster of papers represents advances in chemical crystallography, focusing on topics such as crystal structure refinement, Hirshfeld surface analysis, supramolecular crystallography, crystal structure validation, and molecular packing analysis. It also covers the development of crystal database software, X-ray crystallography techniques, coordination chemistry, and crystal growth.
最新文献
N,N,N′-Tris(trimethylsilyl)-2-pyridinecarboximidamide

article Full Text OpenAlex

COORDINATION COMPOUNDS OF LANTANUM NITRATE WITH METHYLENDIACETAMIDE AT 298° KELVIN

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Author response for "Isostructural chiral metal-organic frameworks for enantioselective luminescence sensing of 1-phenyl-1,2-ethanediol"

peer-review Full Text OpenAlex

Coordination chemistry of mefenamic acid with bioactive first-row transition metals: Insights into their DNA binding and anticancer potential

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In-depth crystallographic and theoretical investigation of a centrosymmetric antimony-based hybrid material: DFT calculations, vibrational spectroscopy, Hirshfeld surface analysis, tested for enzymatic inhibition of acetylcholinesterase and α-amylase

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Competition among weak C–H⋯O/S/H interactions in the crystal structure of {(C2H5O)2P(S)}2N2C4H8 bis(thiophosphoramide): experimental/computational studies

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Structural, optical and electrical characterization of L-alanine doped KDP crystal for NLO application: An experimental and quantum computational study

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Experimental and theoretical investigations on antiproliferative compound nootkatone’s vibrational characteristics, solvent effects of electronic properties, topological insights, Hirshfeld surface, donor-acceptor insights, ADME, and molecular docking against SMAD proteins

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4-(4-Formyl-3,5-dimethoxyphenoxy)butyric Acid (BAL)

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Syntheses, Structures, Hirshfeld surface analyses and Band gap analyses of Five Cd(II)/Zn(II)-based Coordination Compounds

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近5年高被引文献
Synthesis, spectral characterization, crystal structure and antibacterial activity of nickel(II), copper(II) and zinc(II) complexes containing ONNO donor Schiff base ligands

article Full Text OpenAlex 123 FWCI11.165

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

article Full Text OpenAlex 110 FWCI5.714

NLO potential exploration for D–π–A heterocyclic organic compounds by incorporation of various π-linkers and acceptor units

article Full Text OpenAlex 102 FWCI5.714

Chalcogen bonding in coordination chemistry

article Full Text OpenAlex 94 FWCI18.126

AIB3IIC3IIIQ8VI: A New Family for the Design of Infrared Nonlinear Optical Materials by Coupling Octahedra and Tetrahedra Units

article Full Text OpenAlex 94 FWCI7

Insight into non-covalent interactions in a tetrachlorocadmate salt with promising NLO properties: Experimental and computational analysis

article Full Text OpenAlex 92 FWCI6.607

Synthesis, spectroscopic characterizations, single crystal XRD, supramolecular assembly inspection via hirshfeld surface analysis, and DFT study of a hydroxy functionalized schiff base Cu(II) complex

article Full Text OpenAlex 89 FWCI26.926

Fabrication, structural elucidation, theoretical, TD-DFT, vibrational calculation and molecular docking studies of some novel adenine imine chelates for biomedical applications

article Full Text OpenAlex 84 FWCI12.193

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

article Full Text OpenAlex 80 FWCI7.004

C–H⋯S hydrogen bonding interactions

review Full Text OpenAlex 79 FWCI2.41