Themed collection CrystEngComm 20th volume collection
Coordination supramolecules with oxazoline-containing ligands
This highlight focuses on the recent development of oxazoline-based discrete coordination complexes and coordination polymers.
Pharmaceutical cocrystallization: an effective approach to modulate the physicochemical properties of solid-state drugs
This highlight presents an update on applications of cocrystallization to modify properties relevant to efficacy, safety, and manufacturability of drugs.
Curcumin: pharmaceutical solids as a platform to improve solubility and bioavailability
The remarkable improvements in the pharmacokinetics and high bioavailability of curcumin polymorphs, amorphous, cocrystals, eutectics, and coamorphous solids are discussed. The importance of pharmaceutical solids in the advanced formulation development of herbal and bioactive molecule curcumin is presented.
Organic–inorganic ionic co-crystals: a new class of multipurpose compounds
Reacting molecular organic solids with inorganic salts gives access to novel properties via ionic co-crystal formation.
A family of powerful halogen-bond donors: a structural and theoretical analysis of triply activated 3-iodo-1-phenylprop-2-yn-1-ones
A new group of powerful halogen-bond donors have been synthesized and evaluated using structural and computational tools.
Halogen bonding at the wet interfaces of an amyloid peptide structure
Halogenation is a promising tool to stabilize – through halogen bonds – the wet interface of amyloid structures.
A random forest model for predicting crystal packing of olanzapine solvates
A random forest (RF) classification model obtained from physicochemical properties of solvents and crystal structures of olanzapine has for the first time enabled the prediction of 3-D crystal packings of solvates. A novel solvate was obtained by targeted crystallization from the solvent identified by RF model.
Development of a novel CaCO3 PILP based cementation method for quartz sand
Development and investigation of a cementation method for soil grade quartz sand by utilizing aqueous Polymer Induced Liquid Precursor (PILP) solutions.
Magnetostructural relationships in polymorphic ethylmalonate-containing copper(II) coordination polymers
Three ethylmalonate-containing non-centrosymmetric copper(II) coordination polymers with magnetic properties ranging from antiferromagnetism to ferromagnetic ordering are synthetized under nearly identical conditions.
Optimizing the oxygen balance by changing the A-site cations in molecular perovskite high-energetic materials
Two new members of molecular perovskite high-energetic materials exhibit optimized oxygen balances by changing the A-site cations.
Multidrug salt forms of norfloxacin with non-steroidal anti-inflammatory drugs: solubility and membrane permeability studies
Dissolution properties and membrane permeability studies were conducted for four newly prepared multidrug salts of norfloxacin with four NSAIDs, diclofenac, diflunisal, mefenamic acid and indomethacin.
Novel pharmaceutical salts of albendazole
Novel pharmaceutical salts of albendazole drugs are crystallized with sulfonic acids and carboxylic acids. The disorder of the thiopropyl chain in the parent crystal structure is resolved in the salt crystal structures.
Efficient extraction of inorganic selenium from water by a Zr metal–organic framework: investigation of volumetric uptake capacity and binding motifs
MOF-808 displays enhanced gravimetric and volumetric uptake capacities for selenium oxyanions and the binding motifs are crystallographically characterized.
Towards the use of experimental electron densities to estimate reliable lattice energies
Lattice energies derived from experimental charge densities are critically assessed, with a view to encouraging further research of this nature.
Influence of nanoscale structuralisation on the catalytic performance of ZIF-8: a cautionary surface catalysis study
Nanoscale structuralisation is demonstrated to influence the stability and catalytic properties of zeolitic imidazolate framework-8.
Spontaneous resolution of a Δ/Λ-chiral-at-metal pseudo-tetrahedral Schiff-base zinc complex to a racemic conglomerate with C–H⋯O organized 41- and 43-helices
Weak supramolecular interactions can be decisive!
Synthesis of hydrophobic MIL-53(Al) nanoparticles in low molecular weight alcohols: systematic investigation of solvent effects
Employing methanol as a reaction solvent when preparing MIL-53(Al) leads to a highly porous MOF without the requirement of an energy-consuming activation process.
2D networks of metallo-capsules and other coordination polymers from a hexapodal ligand
2D M3L2 coordination polymers (M = Re(I), Cu(II), Co(II), Ni(II)) feature metal-linked M6L2-cages, and the Re(I) material absorbs iodine.
Serendipitous isolation of a disappearing conformational polymorph of succinic acid challenges computational polymorph prediction
A new polymorph of succinic acid is an unusually challenging test for metastable polymorph prediction.
Exploring the structural landscape with ‘partial’ fluoro-substitution as a probe
The landscape of β-cinnamic acid is explored by an extension of the previously reported fluorosubstitution protocol.
Pillars of crystal engineering: crystal energies and symmetry operators
Molecular pairs with top-ranking interaction energy are sorted out for 1235 organic crystal structures, in relationship with the corresponding symmetry operators. Top pairing energies compare with 20–40% of the total lattice energies (see figure).
Halogen bonds in 2,5-dihalopyridine-copper(II) chloride complexes
In the (2,5-dihalopyridine)2·CuCl2 complexes varying the C5-position halogens affects the halogen bonding properties so that the C5–X5⋯Cl–Cu halogen bonds follow the order F5 < Cl5 < Br5 < I5 when the substituent at 2-position is chlorine and Cl5 < Br5 < I5 when it is bromine.
Enhanced upconversion luminescence and controllable phase/shape of NaYF4:Yb/Er crystals through Cu2+ ion doping
The crystal phase/shape and upconversion luminescence properties of NaYF4:Yb/Er crystals could be fine-tuned through doping with Cu2+ ions.
L-Malic acid crystallization: polymorphism, semi-spherulites, twisting, and polarity
A new polymorph and twisted semi-spherulites of L-malic acid are described and discussed in this work.
Boric acid co-crystals in guar gelation
Boric acid/lactam co-crystals have been applied as novel delivery agents for guar cross-linking.
About this collection
2018 is a milestone for CrystEngComm – the publication of its 20th volume. Since its launch in 1999, CrystEngComm has published over 10,000 articles featuring contributions from 70 countries across six continents. CrystEngComm is a truly international journal with an international readership and this global reach is a result of the work of our many editorial and advisory board members over the years. There have been 73 members of our editorial and advisory boards over the last 20 years who have been led by five outstanding scientists in the field of crystal engineering: Professor Dario Braga (1999-2002), Professor Lee Brammer (2003-2006), Professor Neil Champness (2007-2010), Professor Len MacGillivray (2011-2017) and Professor Pierangelo Metrangolo (2018 - ).
This themed collection celebrates the high quality research published in CrystEngComm authored by our board members past and present. The breadth and diversity of the field of crystal engineering is illustrated by this collection, as well as the new avenues being explored.
Further articles will be added to the collection as they become available. I hope you enjoy reading these articles and here’s to another 20 years of CrystEngComm.
Executive Editor, CrystEngComm