Themed collection Articles behind the 2025 journal covers

Crystal habit modification of sodium chloride using habit modifiers: a dive into more than 50 years of research & development on crystal habit modification of rock-salt crystals
Crystal habit modification of salt crystals has been a fascinating area of research for decades.
CrystEngComm, 2025,27, 2439-2451
https://doi.org/10.1039/D4CE01055H

Inclusion and intercalation compounds of arsenic(III) oxide polymorphs
State-of-the-art studies of arsenic(III) oxide inclusion compounds with hydrogen and helium, as well as intercalation compounds with alkali metal and ammonium (pseudo)halides, are highlighted with a particular emphasis on secondary interactions.
CrystEngComm, 2025,27, 1862-1872
https://doi.org/10.1039/D5CE00135H

Unveiling POM–peptide complexes: molecular insights into metal oxide nanoparticle–protein interactions
Factors influencing Keggin polyoxometalate species interaction with small peptide molecules have been summarized providing models for investigation of mineral nanoparticle–protein interactions.
CrystEngComm, 2025,27, 1679-1686
https://doi.org/10.1039/D4CE01269K
Harnessing non-covalent interactions in modified thiophenes: structural design and applications in materials and biological sciences
This highlight explores the key role of thiophene-based compounds in organic electronics, sensors, medicinal chemistry, solid-state reactions, crystal engineering, and supramolecular helices, using X-ray, DFT, and microscopy techniques.
CrystEngComm, 2025,27, 736-748
https://doi.org/10.1039/D4CE01213E
Yellow and red polymorphic co-crystals of phenyl-substituted pyrazinacene and naphthalene via π-hole⋯π interactions
Phenyl-substituted pyrazinacene and naphthalene form yellow and red co-crystal polymorphs via π-hole⋯π interactions. The red form, with a herringbone motif, shows tenfold enhanced emission via exciplex, while the yellow form has a columnar motif.
CrystEngComm, 2025,27, 2064-2069
https://doi.org/10.1039/D5CE00114E
An unsymmetrically sandwiched bis(O3S2-macrocycle) lead(II) complex via an endo/exo-coordination mode
Self-assembly reactions of ditopic O3S2-macrocycle (L) with a lead(II) salt afforded an unsymmetrically sandwiched complex, including an edge-to-face mode as the first non-soft metal species in this category.
CrystEngComm, 2025,27, 1529-1533
https://doi.org/10.1039/D4CE01045K
Structure features of a supramolecular organic framework self-assembled from a chiral natural compound
A fascinating supramolecular-organic framework (SOF) self-assembles from a chiral naturally occurring lanostane compound extracted from the Thai plant Miliusa sessilis.
CrystEngComm, 2025,27, 297-301
https://doi.org/10.1039/D4CE01008F

Embedding crystalline Cu and Cu2O nanoparticles in silicate glasses through an ion-exchange process followed by gamma irradiation and annealing: an optical absorption spectroscopy assessment
Doping a glass matrix with copper ions using an ion exchange process, followed by γ irradiation (doses of 1–1000 kGy), and annealing (50–600 °C) for different time durations resulted in the growth of CuNPs and ecofriendly Cu2O nanoparticles.
CrystEngComm, 2025, Advance Article
https://doi.org/10.1039/D4CE01225A
Multi-component supramolecular compounds containing hexaamminecobalt(III) cations and aromatic sulfonic acid derivatives
The incorporation of the [Co(NH3)6]3+ cation as an exceptional multiple hydrogen bond donor in reactions with organic sulfonic acid derivatives resulted in the formation of 1D, 2D, and 3D hydrogen-bonding networks in multi-component compounds.
CrystEngComm, 2025, Advance Article
https://doi.org/10.1039/D5CE00184F
Calculating and analyzing the relationship between thermal conductivity and microstructure in rare-earth doped fluoride crystals
The calculation of phonon scattering coefficients is used to study the influence of different structures on glass-like thermal conductivity.
CrystEngComm, 2025,27, 2623-2634
https://doi.org/10.1039/D4CE01308E
Synthesis, crystallographic study and solid-state properties of metal-free perovskites with P-atom containing A-site cations
The structure and properties of the new metal-free perovskites A(NH4)X3 (X = Br−, I−, and BF4−) were investigated using 1,3,5-triaza-7-phosphaadamantane (pta).
CrystEngComm, 2025, Advance Article
https://doi.org/10.1039/D5CE00177C
Mononuclear high-spin Fe(III) complexes: synthesis, crystal structures, magnetic and optical properties
The coordination agent H2L = 2,6-diacetylpyridine bis(picolinoylhydrazone) was used for the synthesis of two mononuclear iron(III) complexes [Fe(H2L)(H2O)2]X3·2.5H2O, where X = NO3− (1) and ClO4− (2).
CrystEngComm, 2025, Advance Article
https://doi.org/10.1039/D5CE00125K

Different thermal and solubility properties with an identical crystal structure – case of lenalidomide hydrate
Identification of the polymorphism of a medicine is critical for its pharmaceutical properties.
CrystEngComm, 2025, Advance Article
https://doi.org/10.1039/D4CE00798K

Exploring intermolecular interactions and energetics in crystalline substituted thieno[2,3-d]pyrimidines
Intermolecular interactions in crystalline substituted thieno[2,3-d]pyrimidines were examined, highlighting sulfur-based non-covalent contacts through electrostatic potentials, QTAIM, and 3D deformation density maps.
CrystEngComm, 2025,27, 2070-2085
https://doi.org/10.1039/D5CE00071H
Synergistic crucible design and thermal-flow management for enhanced 4-inch AlN single crystal PVT growth: a combined numerical and experimental investigation
By optimizing the thermal field position, crucible microstructure, and thermal flow field coupling, a 4-inch aluminum nitride single crystal with excellent growth uniformity was successfully fabricated.
CrystEngComm, 2025, Advance Article
https://doi.org/10.1039/D5CE00214A
Prism[n]arene-alkyl dibromide (n = 5, 6) synergy: molecular affinity in the solid state
Herein, we report on the influence of size- and shape-dependent molecular affinity on the supramolecular self-assembly in the solid state of prism[n]arene-alkyl dibromide (n = 5, 6) systems.
CrystEngComm, 2025,27, 1873-1878
https://doi.org/10.1039/D4CE01320D
Twisted cholesterol crystals by Mueller matrix microscopy
Twisted cholesterol spherulites are stained by coumarin to explore their microstructures.
CrystEngComm, 2025,27, 1687-1693
https://doi.org/10.1039/D4CE01252F

On the pK of crystal surfaces: molecular modeling of crystallite protonation, local reorganization, and solute dissociation
We demonstrate the application of the ‘instantaneous pK’ approach to the molecular dynamics simulation of crystallite models exposed to an acidic solvent environment.
CrystEngComm, 2025,27, 1392-1398
https://doi.org/10.1039/D4CE01292E

Non-covalent interactions in solid p-C6F4Cl2 and C6F5Cl
A solid-state study of the weak non-covalent interactions in p-C6F4Cl2 and C6F5Cl reveals complex phase behaviour in the latter. The disordered form II of C6F5Cl is isomorphous to the crystal structure of p-C6F4Cl2.
CrystEngComm, 2025,27, 1386-1391
https://doi.org/10.1039/D4CE01192A

Substrate-surface-structure tuned electrical and magnetic properties of PrCoO3/CaCoO2.5 superlattices
This study systematically investigates the effects of substrate surface structures on the physical properties of perovskite (PV)/brownmillerite (BM) superlattices.
CrystEngComm, 2025,27, 1256-1261
https://doi.org/10.1039/D4CE01166J

Luminescent lanthanide-doped calcium phosphate from oyster shell waste: an example of bright recycling
This research explores the transformation of biogenic CaCO3 microparticles (Ø < 45 μm) from oyster shell waste into luminescent Eu- or Tb-doped calcium phosphate (apatites), using a sustainable “one-step” and eco-friendly method.
CrystEngComm, 2025,27, 1078-1089
https://doi.org/10.1039/D4CE01217H
Blue- and white-light emitting 2D metal–organic frameworks of cis-5-norbornene-endo-2,3-dicarboxylic acid
Two 2D MOFs were isolated using cis-5-norbornene-endo-2,3-dicarboxylic acid emit near white-light (Pb-MOF) and blue-light (Zn-MOF) due to the structural variation and local metal-centered and ligand-to-metal charge transfer.
CrystEngComm, 2025,27, 913-920
https://doi.org/10.1039/D4CE00985A

Helical ammonium halide framework constituting polar conglomerate crystals of 2-ethylanilinium chloride
Crystallization of 2-ethylanilinium chloride produces chiral and polar fibrous crystals composed of a helical ammonium halide framework.
CrystEngComm, 2025,27, 729-735
https://doi.org/10.1039/D4CE01084A

Coordination polymers constructed from bis-pyridyl-bis-amides and 1,4,5,8-naphthalenetetracarboxylic acid: ligand transformation and metal ion sensing
Ligand transformations are observed in the coordination polymers constructed from bis-pyridyl-bis-amides (L1–L5) and 1,4,5,8-naphthalenetetracarboxylic acid.
CrystEngComm, 2025,27, 606-615
https://doi.org/10.1039/D4CE01119H
Deformation behavior and yield strength prediction of [112] oriented NbMoTaW refractory high entropy alloy nanowires
A thermal activation-based theoretical model incorporating the stacking fault energy and surface energy as pivotal parameters can effectively predict the yield stress of the RHEAs in the IHP stage and can be extended to other BCC metals.
CrystEngComm, 2025,27, 596-605
https://doi.org/10.1039/D4CE00984C
Organic fluorine mediated intermolecular interactions: insights from experimental and theoretical charge density analyses
The attractive nature of type II C–F⋯F–C interaction has been established using experimental and theoretical modelling of electron densities using multipole modelling of high-resolution X-ray diffraction data and theoretical structure factors.
CrystEngComm, 2025,27, 478-487
https://doi.org/10.1039/D4CE00829D
About this collection
This collection brings together all of the research articles behind our 2025 journal covers and showcases the wide range of research found in the journal. Further articles will be added to this collection as they are published so please do return to keep up to date with the work behind our covers. If your article has been accepted for publication, and you are interested in showcasing your research on one of our covers, please do contact the Editorial Team for further information.