Themed collection Introducing the CrystEngComm Advisory Board and their research

106 items - Showing page 1 of 2
Highlight

Supramolecular architectures featuring Se⋯N secondary-bonding interactions in crystals of selenium-rich molecules: a comparison with their congeners

The importance of Se⋯N chalcogen-bonding in supramolecular assembly is demonstrated.

Graphical abstract: Supramolecular architectures featuring Se⋯N secondary-bonding interactions in crystals of selenium-rich molecules: a comparison with their congeners
Open Access Highlight

Fused aza-heterocyclic ligands: expanding the MOF chemist's toolbox

Fused azolate ligands are hydrolytically-stable linkers for metal–organic frameworks. Their unique geometries and capacity for functionalisation have opened new pathways at the convergence of simple N-heterocycles and biologically relevant purines.

Graphical abstract: Fused aza-heterocyclic ligands: expanding the MOF chemist's toolbox
Highlight

Compositionally graded crystals as a revived approach for new crystal engineering for the exploration of novel functionalities

Nanoscale compositionally graded crystals have huge potential to allow the exploration of new functionalities through crystal lattice modulation.

Graphical abstract: Compositionally graded crystals as a revived approach for new crystal engineering for the exploration of novel functionalities
Highlight

Crystal engineering of nanomaterials: current insights and prospects

Nanocrystal engineering has evolved into a dynamic research area over the past few decades but is not properly defined. Here, we present select examples to highlight the diverse aspects of crystal engineering applied on inorganic nanomaterials.

Graphical abstract: Crystal engineering of nanomaterials: current insights and prospects
Highlight

Determining the mechanisms of deformation in flexible crystals using micro-focus X-ray diffraction

A newly developed methodology allows for the determination of the mechanisms of deformation in flexible crystals with atomic precision. With broader applications, mapping experiments have wide reaching potential within the field of materials science.

Graphical abstract: Determining the mechanisms of deformation in flexible crystals using micro-focus X-ray diffraction
Highlight

Potential and challenges of engineering mechanically flexible molecular crystals

Crystal adaptronics has undergone tremendous developments that have been utilized to rationalize dynamics in crystals. This highlight discusses about the role of intermolecular interactions in rationalizing mechanical responses in crystals.

Graphical abstract: Potential and challenges of engineering mechanically flexible molecular crystals
Highlight

Coordination supramolecules with oxazoline-containing ligands

This highlight focuses on the recent development of oxazoline-based discrete coordination complexes and coordination polymers.

Graphical abstract: Coordination supramolecules with oxazoline-containing ligands
Highlight

TTF–PTM dyads: from switched molecular self assembly in solution to radical conductors in solid state

Dyads formed by tetrathiafulvalene (TTF) linked to perchlorotriphenylmethyl (PTM) radicals exhibit interesting physical properties such as bistability in solution or conductivity in solid state.

Graphical abstract: TTF–PTM dyads: from switched molecular self assembly in solution to radical conductors in solid state
Communication

Vapor–liquid–solid growth of 4H-SiC single crystal films with extremely low carrier densities in chemical vapor deposition with a Pt–Si alloy flux and X-ray topography analysis of their dislocation propagation behaviors

The CVD–VLS process for 4H-SiC films with a Pt–Si alloy flux achieved their low carrier densities of ∼1015 cm−3, demonstrating a remarkable etch back effect and a possible conversion of TEDs and TSDs in the substrate to BPDs in the films.

Graphical abstract: Vapor–liquid–solid growth of 4H-SiC single crystal films with extremely low carrier densities in chemical vapor deposition with a Pt–Si alloy flux and X-ray topography analysis of their dislocation propagation behaviors
Communication

Solid-state behaviors of imines: colossal biaxial positive thermal expansion, motion capability, and phase transitions

The torsional flexibility of imines affects solid-state packing and properties. Behaviors including colossal thermal expansion, pedal motion, and phase transitions in imine-containing solids are described.

Graphical abstract: Solid-state behaviors of imines: colossal biaxial positive thermal expansion, motion capability, and phase transitions
Communication

Ambient L-lactic acid crystal polymorphism

The second and third crystalline forms of lactic acid are described, yet along with the known structure, they together fail to reproduce any of the supramolecular aggregates that have long been observed in isotropic media.

Graphical abstract: Ambient l-lactic acid crystal polymorphism
Communication

Reversible facile single-crystal-to-single-crystal polymorphic transition accompanied by unit cell volume expansion and twinning

Reversible and facile single-crystal-to-single-crystal transformation between two polymorphs of diphenhydramine citrate leads to molecular level understanding of crystal phase change.

Graphical abstract: Reversible facile single-crystal-to-single-crystal polymorphic transition accompanied by unit cell volume expansion and twinning
Communication

Photoreactive salt cocrystal: N+–H⋯N hydrogen bond and cation–π interactions support a cascade-like photodimerization of a 4-stilbazole

Hydrogen bonds (i.e., N+–H⋯N) in combination with cation⋯π interactions enable a cascade-like [2 + 2] photodimerization of 4-stilbazole in a salt cocrystal.

Graphical abstract: Photoreactive salt cocrystal: N+–H⋯N hydrogen bond and cation–π interactions support a cascade-like photodimerization of a 4-stilbazole
Communication

Investigating the solid-state assembly of pharmaceutically-relevant N,N-dimethyl-O-thiocarbamates in the absence of labile hydrogen bonds

There are many active pharmaceutical ingredients that lack N–H, O–H and S–H hydrogen-bond donor functional groups.

Graphical abstract: Investigating the solid-state assembly of pharmaceutically-relevant N,N-dimethyl-O-thiocarbamates in the absence of labile hydrogen bonds
Communication

A user-friendly application for predicting the outcome of co-crystallizations

An automated application, CoForm, was used for predicting the outcomes of attempted co-crystallizations between two active pharmaceutical ingredients, loratadine and desloratadine, and 41 potential co-formers from the general interest (OGI) list.

Graphical abstract: A user-friendly application for predicting the outcome of co-crystallizations
Communication

Application of a tetrapyrimidyl cyclobutane synthesized in the organic solid state: a halogen-bonded supramolecular ladder

A supramolecular ladder sustained by halogen bonds with rungs based upon a photoproduct, namely rctt-tetrakis(5′-pyrimidyl)cylcobutane, generated in the solid state is reported.

Graphical abstract: Application of a tetrapyrimidyl cyclobutane synthesized in the organic solid state: a halogen-bonded supramolecular ladder
Communication

Enhanced fluorescence by increasing dimensionality: a novel three-dimensional luminescent metal–organic framework with rigidified ligands

A novel 3D luminescent MOF has been developed by the incorporation of an organic chromophore, demonstrating the photoluminescence of MOFs can be greatly enhanced by increasing their structural dimensionality.

Graphical abstract: Enhanced fluorescence by increasing dimensionality: a novel three-dimensional luminescent metal–organic framework with rigidified ligands
Communication

Repurposing of the anti-HIV drug emtricitabine as a hydrogen-bonded cleft for bipyridines via cocrystallization

Supramolecular repurposing of the anti-HIV drug emtricitabine enables the recognition of rod-shaped bipyridines as a hydrogen-bonded supramolecular cleft.

Graphical abstract: Repurposing of the anti-HIV drug emtricitabine as a hydrogen-bonded cleft for bipyridines via cocrystallization
Open Access Communication

Intrinsically porous molecular building blocks for metal organic frameworks tailored by the bridging effect of counter cations

Intrinsically porous molecular building blocks are used for the rational design and construction of molecular-level controlled porous materials.

Graphical abstract: Intrinsically porous molecular building blocks for metal organic frameworks tailored by the bridging effect of counter cations
Communication

Straightening out halogen bonds

A new parameter is proposed to quantify the linearity of halogen bonds.

Graphical abstract: Straightening out halogen bonds
Communication

The landscape of mechanical properties of molecular crystals

An analysis of compiled literature nanoindentation contact hardness (Hc) and elastic modulus (E) values of molecular crystals revealed a wide range of mechanical properties (0.001–1.80 GPa for Hc and 0.27–46.8 GPa for E).

Graphical abstract: The landscape of mechanical properties of molecular crystals
Communication

Role of hydrogen bonding in cocrystals and coamorphous solids: indapamide as a case study

Crystalline and amorphous stable binary compounds of indapamide for high solubility and permeability.

Graphical abstract: Role of hydrogen bonding in cocrystals and coamorphous solids: indapamide as a case study
Communication

Remarkable decrease in stiffness of aspirin crystals upon reducing crystal size to nanoscale dimensions via sonochemistry

Nano-dimensional crystals of aspirin generated through sonochemistry exhibit Young's modulus values an order of magnitude softer than macro-dimensional crystals.

Graphical abstract: Remarkable decrease in stiffness of aspirin crystals upon reducing crystal size to nanoscale dimensions via sonochemistry
Communication

Thermal expansion along one-dimensional chains and two-dimensional sheets within co-crystals based on halogen or hydrogen bonds

Co-crystals assembled via halogen or hydrogen bonds yield minimal thermal expansion along 1D chains and greater expansion in 2D sheets.

Graphical abstract: Thermal expansion along one-dimensional chains and two-dimensional sheets within co-crystals based on halogen or hydrogen bonds
Communication

Subsurface nucleation of supercooled acetaminophen

Nucleation of acetaminophen glass at room temperature originates from ∼50 μm below the surface.

Graphical abstract: Subsurface nucleation of supercooled acetaminophen
Communication

Lack of dependence of mechanical properties of baicalein cocrystals on those of the constituent components

Three baicalein (BAI) cocrystals with nicotinamide (NCT), caffeine (CAF), and isoniazid (ISN) exhibited excellent tabletability despite the markedly different tabletability of the coformers.

Graphical abstract: Lack of dependence of mechanical properties of baicalein cocrystals on those of the constituent components
Communication

Uniaxial negative thermal expansion induced by moiety twisting in an organic crystal

Anomalous thermal expansion of a new diyn-diol molecule was studied by means of variable-temperature single-crystal X-ray diffraction. Analysis of the unit cell axes as a function of temperature shows that the material experiences uniaxial negative thermal expansion. Packing analysis of the crystal structures reveals twisting of the cyclopentyl moiety relative to the diyne spine with increasing temperature.

Graphical abstract: Uniaxial negative thermal expansion induced by moiety twisting in an organic crystal
Open Access Communication

Solvatomorphism of Reichardt's dye

Six different crystal structures are obtained depending on the crystallization solvent.

Graphical abstract: Solvatomorphism of Reichardt's dye
Communication

Molecular tectonics: control of crystalline sequences

Isostructural and almost isometric crystals that differ in their colour may be welded in solution and under mild conditions into crystalline materials with imposed sequences.

Graphical abstract: Molecular tectonics: control of crystalline sequences
Open Access Communication

Will they co-crystallize?

Co-crystal screening data and machine learning models allows prediction of the most likely co-formers to use for new molecules.

Graphical abstract: Will they co-crystallize?
Communication

Self-templating accelerates precipitation of carbamazepine dihydrate during the dissolution of a soluble carbamazepine cocrystal

Similarly organized carbamazepine clusters in a soluble cocrystal with glutaric acid templated the nucleation of carbamazepine dihydrate during dissolution.

Graphical abstract: Self-templating accelerates precipitation of carbamazepine dihydrate during the dissolution of a soluble carbamazepine cocrystal
Communication

One-dimensional water cages with repeat units of (H2O)24 resembling pagodane trapped in a 3D coordination polymer: proton conduction and tunable luminescence emission by adsorption of anionic dyes

A 3D-coordination polymer was shown to trap one-dimensional polyhedral water cages consisting of repeat units of (H2O)24, the geometry of which resembles the exotic organic molecule pagodane.

Graphical abstract: One-dimensional water cages with repeat units of (H2O)24 resembling pagodane trapped in a 3D coordination polymer: proton conduction and tunable luminescence emission by adsorption of anionic dyes
Paper

Solubility and permeability enhancement of BCS class IV drug ribociclib through cocrystallization

Cocrystallization improves the solubility and permeability of BCS class IV anticancer drug ribociclib as a cocrystal with resorcinol and as a salt hydrate with vanillic acid.

Graphical abstract: Solubility and permeability enhancement of BCS class IV drug ribociclib through cocrystallization
Paper

On the energetic stability of halogen bonds involving metals: implications in crystal engineering

This manuscript reports a CSD survey of X-ray structures exhibiting halogen bonds involving metals of group 10 as electron donors. The DFT study on several model systems discloses that the interactions are moderately strong.

Graphical abstract: On the energetic stability of halogen bonds involving metals: implications in crystal engineering
Open Access Paper

Metal–organic framework structures of fused hexagonal motifs with cuprophilic interactions of a triangular Cu(I)3(pyrazolate-benzoate) metallo-linker

The hexagonal motifs dictated by the {Cu3} pyrazolate triangular units are joined together by the additional connectivity of the various alternating zinc (oxo)carboxylate units to form 2D/3D open structures (* relates the same example-structure).

Graphical abstract: Metal–organic framework structures of fused hexagonal motifs with cuprophilic interactions of a triangular Cu(i)3(pyrazolate-benzoate) metallo-linker
From the themed collection: Open Access in CrystEngComm
Paper

Supramolecular assemblies of Zn(II) complexes with a D–π–A ligand for sensing specific organic molecules

Three Zn(II) supramolecular assemblies are fabricated with a D–π–A ligand and present good fluorescent sensing properties for specific organic molecules.

Graphical abstract: Supramolecular assemblies of Zn(ii) complexes with a D–π–A ligand for sensing specific organic molecules
Paper

Calcium oxalate crystallization in synthetic urinary medium: the impact of resorcinares and calixarenes

The impact of macrocycles on calcium oxalate formation. Calcium oxalate is a major component of kidney stones, an ailment that affects many people globally.

Graphical abstract: Calcium oxalate crystallization in synthetic urinary medium: the impact of resorcinares and calixarenes
Paper

Polymorphism and distinct physicochemical properties of the phloretin–nicotinamide cocrystal

Two novel polymorphs of a cocrystal involving phloretin and nicotinamide were identified and found where the polymorphs show distinct crystal structures, photoluminescence, and dissolution rates.

Graphical abstract: Polymorphism and distinct physicochemical properties of the phloretin–nicotinamide cocrystal
Paper

Impact of flexible succinate connectors on the formation of tetrasulfonylcalix[4]arene based nano-sized polynuclear cages: structural diversity and induced chirality study

The formation of three types of supramolecular coordination cages is described. Tetrasulfonylcalixarene, combined with metallic salts (Ni, Co and Zn) and the flexible succinate ligand, led to cages. H bonded induced chirality was observed for both isomorphous cages.

Graphical abstract: Impact of flexible succinate connectors on the formation of tetrasulfonylcalix[4]arene based nano-sized polynuclear cages: structural diversity and induced chirality study
Open Access Paper

Fecht's acid revisited: a spirocyclic dicarboxylate for non-aromatic MOFs

The first of a new class of spiroalkane-derived MOF linkers shows aromaticity is not a prerequisite for ligand design in porous materials.

Graphical abstract: Fecht's acid revisited: a spirocyclic dicarboxylate for non-aromatic MOFs
Paper

Schiff base ligands derived from 1,2-bis(2′-nitro-/amino-phenoxy)-3-R-benzene and 2-hydroxy-1-naphthaldehyde and their Cu/Zn(II) complexes: synthesis, characterization, X-ray structures and computational studies

Racemic crystals of Cu/Zn(II)-tetradentate Schiff base ligands with Λ/Δ-chirality induction at-metal center.

Graphical abstract: Schiff base ligands derived from 1,2-bis(2′-nitro-/amino-phenoxy)-3-R-benzene and 2-hydroxy-1-naphthaldehyde and their Cu/Zn(ii) complexes: synthesis, characterization, X-ray structures and computational studies
Paper

Salts, solvates and hydrates of the multi-kinase inhibitor drug pazopanib with hydroxybenzoic acids

Eight cocrystal-salts of the multi-kinase drug pazopanib with hydroxybenzoic acids are sustained by the strong, ionic aminopyridinium⋯carboxylate heterosynthon of N–H⋯O hydrogen bonds between the carboxylic acid donor and amino-pyrimidine acceptor.

Graphical abstract: Salts, solvates and hydrates of the multi-kinase inhibitor drug pazopanib with hydroxybenzoic acids
Open Access Paper

Tuning the mechanical flexibility of organic molecular crystals by polymorphism for flexible optical waveguides

The ability to selectively tune the optical and the mechanical properties of organic molecular crystals offers a promising approach towards developing flexible optical devices.

Graphical abstract: Tuning the mechanical flexibility of organic molecular crystals by polymorphism for flexible optical waveguides
Paper

Photomechanical response of sulfonylhydrazone molecular crystals

Photomechanical responses of the single crystals of a series of sulfonylhydrazones are explored for the first time.

Graphical abstract: Photomechanical response of sulfonylhydrazone molecular crystals
Paper

Interplay of halogen and hydrogen bonding in a series of heteroleptic iron(III) complexes

The impact of the halogen substituent on supramolecular preferences that influence packing is explored in a series of heteroleptic iron(III) complexes.

Graphical abstract: Interplay of halogen and hydrogen bonding in a series of heteroleptic iron(iii) complexes
Paper

Solubility improvement of curcumin with amino acids

Eutectic, co-amorphous, cocrystal, and physical mixtures of curcumin with basic amino acids are prepared and characterized by PXRD, DSC, NMR, FT-IR, and SEM; solubility and dissolution improvement achieved in 40% ethanol–water system.

Graphical abstract: Solubility improvement of curcumin with amino acids
Paper

Barium sulfate crystallization in non-aqueous solvent

The dielectric constant impacts on oriented attachment as well as solubility and morphology.

Graphical abstract: Barium sulfate crystallization in non-aqueous solvent
Paper

Non-covalent interactions involving remote substituents influence the topologies of supramolecular chains featuring hydroxyl-O–H⋯O(hydroxyl) hydrogen bonding in crystals of (HOCH2CH2)2NC([double bond, length as m-dash]S)N(H)(C6H4Y-4) for Y = H, Me, Cl and NO2

Secondary non-covalent interactions prove crucial in determining the topology of supramolecular chains sustained by conventional O–H⋯O hydrogen bonding.

Graphical abstract: Non-covalent interactions involving remote substituents influence the topologies of supramolecular chains featuring hydroxyl-O–H⋯O(hydroxyl) hydrogen bonding in crystals of (HOCH2CH2)2NC( [[double bond, length as m-dash]] S)N(H)(C6H4Y-4) for Y = H, Me, Cl and NO2
Open Access Paper

Developing design tools for introducing and tuning structural order in ionic liquids

Ionic liquids – ionic crystals – ionic liquid crystals? Structural order in imidazolium-based ILs, a series of asymmetrical 1-dodecyl-2-methyl-3-alkylimidazolium bromides, [C12C1Cnim][Br] with n = 0–12.

Graphical abstract: Developing design tools for introducing and tuning structural order in ionic liquids
Paper

Vapour–liquid–solid-like growth of high-quality and uniform 3C–SiC heteroepitaxial films on α-Al2O3(0001) substrates

We employ our pulsed laser deposition system with rapid beam deflection to demonstrate the heteroepitaxial growth of 3C–SiC thin films by a vapour–liquid–solid-like mechanism by alternating deposition of SiC and NiSi2 flux in nanoscale.

Graphical abstract: Vapour–liquid–solid-like growth of high-quality and uniform 3C–SiC heteroepitaxial films on α-Al2O3(0001) substrates
Paper

Organic solvates in the Cambridge Structural Database

Data informatics methods applied to the Cambridge Structural Database reveal shifting trends in solvate formation and inherent biases in the symmetry and packing fraction of solvates and their solvent-free analogues.

Graphical abstract: Organic solvates in the Cambridge Structural Database
Open Access Paper

Structure–property correlations in piracetam polytypes

Analysis of piracetam polytypes using energy-vector models, thermal expansion and nanoindentation measurements, produces a plausible link between their crystal structures and tableting behaviour.

Graphical abstract: Structure–property correlations in piracetam polytypes
Paper

Suppression of isotopic polymorphism

Crystallisation at pressure overcomes the effect of isotopic polymorphism in the methylpyridine pentachlorophenol co-crystal. Though the hydrogenated Cc polymorph can only be obtained at pressure, it is stable on recovery to ambient conditions.

Graphical abstract: Suppression of isotopic polymorphism
Paper

Supramolecular architectures sustained by delocalised C–I⋯π(arene) interactions in molecular crystals and the propensity of their formation

A survey of delocalised C–I⋯π(chelate ring) interactions is presented.

Graphical abstract: Supramolecular architectures sustained by delocalised C–I⋯π(arene) interactions in molecular crystals and the propensity of their formation
Paper

Enhanced solubility, permeability, and tabletability of nicorandil by salt and cocrystal formation

Cocrystallization is a rational selection crystal engineering approach for the development of novel solid forms with enhanced physicochemical and mechanical properties.

Graphical abstract: Enhanced solubility, permeability, and tabletability of nicorandil by salt and cocrystal formation
Paper

Experimental and computational evidence for a stabilising C–Cl(lone-pair)⋯π(chelate-ring) interaction

Stabilising C–Cl(lone-pair)⋯π(chelate ring) interactions are described.

Graphical abstract: Experimental and computational evidence for a stabilising C–Cl(lone-pair)⋯π(chelate-ring) interaction
Paper

Crystallisation of organic salts by sublimation: salt formation from the gas phase

Co-sublimation of two neutral components yields crystals of salts and co-crystals. Experiments show that during sublimation of salts, proton transfer occurs after molecules enter the gas phase.

Graphical abstract: Crystallisation of organic salts by sublimation: salt formation from the gas phase
Paper

Nuclearity control in calix[4]arene-based zinc(II) coordination complexes

Three zinc-based coordination complexes were selectively generated in the crystalline phase using a new flexible molecular “tweezers” calix[4]arene derivative ligand decorated with two appended carboxylic moieties and benzyl spacers ((3-4H)).

Graphical abstract: Nuclearity control in calix[4]arene-based zinc(ii) coordination complexes
Paper

Ring stacking and laddering in ammonium carboxylate salts: extension to secondary ammonium salts

A combined CSD and experimental study shows that the ring stacking and laddering principle, an ionic model, gives insight into the crystal structures of secondary ammonium carboxylate salts.

Graphical abstract: Ring stacking and laddering in ammonium carboxylate salts: extension to secondary ammonium salts
Paper

The remarkable propensity for the formation of C–H⋯π(chelate ring) interactions in the crystals of the first-row transition metal dithiocarbamates and the supramolecular architectures they sustain

C–H⋯π(chelate ring) interactions play an important role in assembling first-row transition metal dithiocarbamates in their crystals.

Graphical abstract: The remarkable propensity for the formation of C–H⋯π(chelate ring) interactions in the crystals of the first-row transition metal dithiocarbamates and the supramolecular architectures they sustain
Paper

Systematic coformer contribution to cocrystal stabilization: energy and packing trends

CSD data mining and energy calculations show that coformer self-interactions might significantly contribute to the packing energy stabilization of cocrystals.

Graphical abstract: Systematic coformer contribution to cocrystal stabilization: energy and packing trends
Paper

Data mining the Cambridge Structural Database for hydrate–anhydrate pairs with SMILES strings

A search method based on SMILES string matching was developed to identify hydrate–anhydrate structure pairs in the Cambridge Structure Database.

Graphical abstract: Data mining the Cambridge Structural Database for hydrate–anhydrate pairs with SMILES strings
Paper

Increasing the performance, trustworthiness and practical value of machine learning models: a case study predicting hydrogen bond network dimensionalities from molecular diagrams

The value of a hydrogen bond network prediction model was improved using a tool to increase prediction trust. Its accuracy could be improved up to 73% or 89% with the compromise that only 34% and 8% of the test examples could be predicted.

Graphical abstract: Increasing the performance, trustworthiness and practical value of machine learning models: a case study predicting hydrogen bond network dimensionalities from molecular diagrams
Paper

Investigating the role of reducing agents on mechanosynthesis of Au nanoparticles

The influence of reducing agents on the mechanochemical synthesis of Au nanoparticles differ significantly from analogous solution syntheses. Environmentally benign mechanochemical syntheses of metal nanoparticles therefore require dedicated studies.

Graphical abstract: Investigating the role of reducing agents on mechanosynthesis of Au nanoparticles
Paper

Selective encapsulation and extraction of hydrogenphosphate by a hydrogen bond donor tripodal receptor

Intramolecular N–H⋯O[double bond, length as m-dash]C hydrogen bonding between the inner amide groups dictates the receptor–anion complementarity in a tripodal receptor towards selective encapsulation of hydrogenphosphate in the outer urea cavity by multiple hydrogen bonds.

Graphical abstract: Selective encapsulation and extraction of hydrogenphosphate by a hydrogen bond donor tripodal receptor
Paper

A heterofunctional ligand approach for the preparation of high connectivity coordination polymers: combining a “bridge” and “pillar” in one ligand

A new strategy that combines the design elements of reticular synthesis and pillaring is proposed.

Graphical abstract: A heterofunctional ligand approach for the preparation of high connectivity coordination polymers: combining a “bridge” and “pillar” in one ligand
Paper

Electron density based analysis of N–H⋯O[double bond, length as m-dash]C hydrogen bonds and electrostatic interaction energies in high-resolution secondary protein structures: insights from quantum crystallographic approaches

Limiting values of the topological parameters and the electrostatic interaction energies to establish the presence of true N–H⋯O[double bond, length as m-dash]C H-bonds in protein main-chain have been identified using quantitative and qualitative analyses of electron densities.

Graphical abstract: Electron density based analysis of N–H⋯O [[double bond, length as m-dash]] C hydrogen bonds and electrostatic interaction energies in high-resolution secondary protein structures: insights from quantum crystallographic approaches
Paper

Ciprofloxacin salts with benzoic acid derivatives: structural aspects, solid-state properties and solubility performance

In this work, three new pharmaceutical hydrated salts of ciprofloxacin with selected derivatives of benzoic acid were obtained and systematically investigated by several solid-state analytical techniques.

Graphical abstract: Ciprofloxacin salts with benzoic acid derivatives: structural aspects, solid-state properties and solubility performance
Paper

Lanthanide-doped bismuth-based fluoride nanoparticles: controlled synthesis and ratiometric temperature sensing

Controllable NaBiF4 nanoparticles have been synthesized through Gd3+ doping for ratiometric temperature sensing in a wide range.

Graphical abstract: Lanthanide-doped bismuth-based fluoride nanoparticles: controlled synthesis and ratiometric temperature sensing
Paper

Flexible bifunctional monoethylphosphonate/carboxylates of Zn(II) and Co(II) reinforced with DABCO co-ligand: paradigmatic structural organization with pcu topology

The prototypal [M2(EtBCP)2(DABCO)0.5] MOFs, compliant with isoreticular expansion in two-dimensions, show flexibility manifested by a two-step CO2 adsorption isotherm, which might be associated to the “lever-action” of the metal-phosphonate moieties.

Graphical abstract: Flexible bifunctional monoethylphosphonate/carboxylates of Zn(ii) and Co(ii) reinforced with DABCO co-ligand: paradigmatic structural organization with pcu topology
106 items - Showing page 1 of 2

About this collection

To celebrate the recently refreshed CrystEngComm Advisory Board, we have highlighted a selection of published work from our Advisory board members. This collection showcases the wide range of research that our members have published 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 of our Advisory Board members. Find the CrystEngComm Advisory Board members here.

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