Leaderboards/Crystal structures of chemical compounds

Crystal structures of chemical compounds

Last updated July 7, 2026

Rising Stars

New and hot

Rising Stars Researchers

1
Zi‐Peng Zhang
Beijing Normal University
2
Larisa E. Alkhimova
University of Tyumen
3
Lin Dou
Lanzhou Jiaotong University
4
Yi‐Chang Yang
Wuhan Textile University
5
Naresh Kumar
Guru Jambheshwar University of Science and Technology
6
Pretam Kumar
University of Jammu
7
Tanmoy Basak
Jadavpur University
8
Haotian Tian
Tongji University
9
Ikram Jomaa
University of Carthage
10
D. Shobana
Unknown

Rising Stars Papers

1
Remarkable Second Harmonic Generation Response in (C<sub>5</sub>H<sub>6</sub>NO)<sup>+</sup>(CH<sub>3</sub>SO<sub>3</sub>)<sup>−</sup>: Unraveling the Role of Hydrogen Bond in Thermal Driven Nonlinear Optical Switch
Angewandte Chemie International Edition|2024
45 cit.
2
Designing Strong Polarity and High Configurational Entropy Flexible Units toward Excellent Ultraviolet Nonlinear Optical Materials
Advanced Functional Materials|2024
34 cit.
3
Exploring diorganotin(IV) complexes of hydrazone based ligands as multi-target agents: Synthesis, structural characterization, DFT and in vitro biological evaluation
Inorganic Chemistry Communications|2024
20 cit.
4
Structural elucidation and Z-scan investigation of NLO E-N’-(4-formylbenzylidene)furan-2-carbohydrazide hydrate crystal
Optical Materials|2024
17 cit.
5
Synthesis of 2-amino-5-methylpyridinium tetrachloridocadmate(II) (C6H9N2)2[CdCl4]: Structure, DFT-calculated descriptors and molecular docking study
Journal of King Saud University - Science|2024
10 cit.
6
Remarkable Second Harmonic Generation Response in (C<sub>5</sub>H<sub>6</sub>NO)<sup>+</sup>(CH<sub>3</sub>SO<sub>3</sub>)<sup>−</sup>: Unraveling the Role of Hydrogen Bond in Thermal Driven Nonlinear Optical Switch
Angewandte Chemie|2024
10 cit.
7
Empirical, computational studies and non-covalent interactions analysis of a novel salt with cadmium transition metal precursor
Journal of Molecular Structure|2024
8 cit.
8
Distinguishing between Coordination and Spodium Bonds in the Dinuclear Cadmium(II) Complex of Lawesson’s-Derived Phosphonodithioates
Crystal Growth & Design|2025
6 cit.
9
Regulating the coplanarity of π-conjugated units through hydrogen bonding in FAHC2O4 and FAH2C3N3S3 crystals
Chinese Journal of Structural Chemistry|2025
5 cit.
10
Establishing σ-hole tetrel bonds by hemidirected lead(<scp>ii</scp>) phosphonodithioates
CrystEngComm|2025
3 cit.

Emerging Leaders

Gaining momentum

Emerging Leaders Researchers

1
Manjit K. Bhattacharyya
Cotton University
2
Sergey A. Adonin
A.E. Favorsky Irkutsk Institute of Chemistry
3
Sonika Asija
Guru Jambheshwar University of Science and Technology
4
Shuichi Sawada
Asahi Kasei (Germany)
5
Radosav Pantelic
Paul Scherrer Institute
6
Daniil M. Ivanov
St Petersburg University
7
Mohamed Habib Mrad
Shaqra University
8
Lan‐Qin Chai
Lanzhou Jiaotong University
9
Dušan Dimić
University of Belgrade
10
Sandeep Pokharia
Banaras Hindu University

Emerging Leaders Papers

1
X-ray structures, spectroscopic, antimicrobial activity, ESP/HSA and TD/DFT calculations of Bi(III) complex containing imidazole ring
Journal of Molecular Structure|2022
66 cit.
2
Two mono‐ and dinuclear Bi(III) complexes combined with crystallographic, spectroscopic, and antibacterial activities, MEP/HSA, and TD/DFT calculations
Applied Organometallic Chemistry|2022
46 cit.
3
Structural, spectroscopic, theoretical calculation and Hirshfeld surface analyses of 3-D supramolecular dinuclear zinc(II) and copper(II) complexes
Journal of Molecular Structure|2023
46 cit.
4
The Effect of Metal Ions (Fe, Co, Ni, and Cu) on the Molecular-Structural, Protein Binding, and Cytotoxic Properties of Metal Pyridoxal-Thiosemicarbazone Complexes
International Journal of Molecular Sciences|2023
44 cit.
5
Synthesis, Crystallographic, Quantum Chemical, Antitumor, and Molecular Docking/Dynamic Studies of 4-Hydroxycoumarin-Neurotransmitter Derivatives
International Journal of Molecular Sciences|2022
42 cit.
6
Synthesis, Crystal Structure, Theoretical Calculations, Antibacterial Activity, Electrochemical Behavior, and Molecular Docking of Ni(II) and Cu(II) Complexes with Pyridoxal-Semicarbazone
Molecules|2022
41 cit.
7
Spectroscopic studies, TD/DFT calculations, electrochemical, antibacterial, and Hirshfeld surface analysis of Ni(II) and Co(III) complexes based on 3-ethoxy salicylaldehyde
Journal of Molecular Structure|2022
40 cit.
8
Synthesis, Crystal Structure, Quantum Chemical Analysis, Electrochemical Behavior, and Antibacterial and Photocatalytic Activity of Co Complex with Pyridoxal-(S-Methyl)-isothiosemicarbazone Ligand
Molecules|2022
39 cit.
9
Antimicrobial activities of two 1‐D, 2‐D, and 3‐D mononuclear Mn (II) and dinuclear Bi (III) complexes: X‐ray structures, spectroscopic, electrostatic potential, Hirshfeld surface analysis, and time‐dependent/density functional theory studies
Applied Organometallic Chemistry|2022
35 cit.
10
Exploring the antimalarial, antioxidant and antimicrobial properties of newly synthesized diorganotin(IV) complexes with ONO-donor hydrazone ligands
Inorganic Chemistry Communications|2023
34 cit.

Current Senior Leaders

Established & currently active

Current Senior Leaders Researchers

1
Allan H. White
University of Tasmania
2
Antonio Frontera
Demos
3
Edward R. T. Tiekink
Universitat de les Illes Balears
4
Gautam R. Desiraju
University of Petroleum and Energy Studies
5
Ashwini Nangia
University of Petroleum and Energy Studies
6
Michael J. Zaworotko
University of Limerick
7
Martin Schröder
University of Manchester
8
J. Reedijk
Yale University
9
Thomas C. W. Mak
Chinese University of Hong Kong
10
Orhan Büyükgüngör
Ondokuz Mayıs University

Current Senior Leaders Papers

1
Supramolecular Synthons in Crystal Engineering—A New Organic Synthesis
Angewandte Chemie International Edition in English|1995
4.8k cit.
2
Crystal engineering : the design of organic solids
Materials science monographs|1989
2.5k cit.
3
Porous materials with optimal adsorption thermodynamics and kinetics for CO2 separation
Nature|2013
2.3k cit.
4
Definition of the halogen bond (IUPAC Recommendations 2013)
Pure and Applied Chemistry|2013
1.9k cit.
5
The C−H···O Hydrogen Bond:  Structural Implications and Supramolecular Design
Accounts of Chemical Research|1996
1.9k cit.
6
Air and water stable 1-ethyl-3-methylimidazolium based ionic liquids
Journal of the Chemical Society Chemical Communications|1992
1.8k cit.
7
Inorganic crystal engineering using self-assembly of tailored building-blocks
Coordination Chemistry Reviews|1999
1.7k cit.
8
Crystal Engineering: From Molecule to Crystal
Journal of the American Chemical Society|2013
1.5k cit.
9
Crystal Engineering: A Holistic View
Angewandte Chemie International Edition|2007
1.5k cit.
10
Terminology of metal–organic frameworks and coordination polymers (IUPAC Recommendations 2013)
Pure and Applied Chemistry|2013
1.3k cit.

Indexing Crystal structures of chemical compounds Reagents

Citation data for reagents in this field is currently compiling.