December issue @actacrystc.iucr.org The cover article reports the catalytic properties of a lithium complex towards the ring-opening polymerization of e-caprolactone #diimine #azaallyl #lithium #DFT #ROP #polydispersityindex #PDI #IUCr #crystallography journals.iucr.org/c/issues/202...

Rajakumar et al.: Crystal structures, thermal properties and inter­molecular inter­actions of new benzamide-based derivatives ##CrystalStructure##HydrogenBonding##SingleCrystal... ##IUCrhttps://journals.iucr.org/paper?S2053229625010083

Tselukovskaya et al.: Chloride salts of the antibacterial agent pazufloxacin: (H3O)2(Pzfx)5Cl7·10H2O and (Pzfx)Cl·1.75H2O·0.5C2H5OH ##Pazufloxacine##ActivePharmaceuticalIngredient##API... ##IUCrhttps://journals.iucr.org/paper?S2053229625010423

Purcell et al.: Structures and electronic properties of cobalt(II) selone coordination com­plexes ##SelenoureaLigand##CobaltIIComplex##CoordinationChemistry... ##IUCrhttps://journals.iucr.org/paper?S2053229625010101

Kelley et al.: Single-crystal X-ray diffraction analysis and mechanistic implications of (2R*,3R*)-2-(2-phen­oxy­eth­yl)tetra­hydro­furan-3-yl acetate ##Epoxide##Rearrangement##Tetrahydrofuran... ##IUCrhttps://journals.iucr.org/paper?S2053229625010150

Xue et al.: A binuclear lithium com­plex based on an ansa-bis­(1-aza­all­yl) ligand: synthesis, structure and catalysis for ring-opening polymerization of ɛ-cap­ro­lac­tone ##Diimine##AnsaBis1Azaallyl##Lithium... ##IUCrhttps://journals.iucr.org/paper?S2053229625009933

D​íaz et al.: Crystal structure, supra­molecular architecture and spectroscopic characterization of the Knoevenagel-type indole derivative (2E)-2-(1H-indol-3-yl­methyl­idene)-4,4-dimethyl-3-oxo­penta­nenitrile ... ##IUCrhttps://journals.iucr.org/paper?S2053229625009945

M​ardiana et al.: Weak hy­dro­gen bonding in the structures of three double-acyl­ated amino­anti­pyrines ##CrystalStructure##Arylation##CrystalPacking... ##IUCrhttps://journals.iucr.org/paper?S2053229625009581

B. M. Parveen Beebeejaun-Boodoo: Effect of the size of halide ligands on the crystal structures of halide-bibridged polymers of HgX2 with 4-ethyl­pyridine ##HalideBibridgedPolymers##CrystalStructure... ##IUCrhttps://journals.iucr.org/paper?S2053229625009702

Zamisa et al.: Structural insights into transition-metal–amino­diphosphine (PNP) com­plexes bearing [MCln(PNP)2] (M = Co, Ru, Cr or Mo; n = 1 or 2) cores in the solid state ##CrystalStructures... ##IUCrhttps://journals.iucr.org/paper?S2053229625009519

November issue @actacrystc.iucr.org The cover article reports the applicability of Hirshfeld atom refinement for establishing the nature of chemical bonding #ChemistryUW #UniWarszawski #UW #Hirshfeld #HAR #TAAM #quinone #quantumcrystallography #IUCr #crystallography journals.iucr.org/c/issues/202...

Rybarczyk-Pirek et al.: The 1:1 gallic acid–N-methyl­urea cocrystal: QTAIM and NBO studies of the O—H⋯O and N—H⋯O hy­dro­gen-bonded supra­molecular carb­oxy­lic acid–urea heterosynthon ##GallicAcid##Cocrystal... ##IUCrhttps://journals.iucr.org/paper?S2053229625009337

Pavlyuk et al.: MgNi2B6 as a new representative of the CeCr2B6 structure type ##ElectronicStructure##Intermetallic##Borides... ##IUCrhttps://journals.iucr.org/paper?S2053229625008940

Guerain et al.: Origin of phase relative stability and phase transformation in an S-ibu­pro­fen–nicotinamide cocrystal ##CrystalEngineering##CrystalStructure##Cocrystal... ##IUCrhttps://journals.iucr.org/paper?S2053229625008952

Cieszyński et al.: Applicability of Hirshfeld atom refinement for establishing the nature of chemical bonding in quinoic com­pounds ##CrystalStructure##HirshfeldAtomRefinement##ChemicalBonding... ##IUCrhttps://journals.iucr.org/paper?S2053229625008873

Andrew N. Fitch: Solving molecular organic crystal structures from powders ##PowderXRayDiffraction##RealSpaceStructureSolution##OrganicMolecules... ##IUCrhttps://journals.iucr.org/paper?S2053229625009052

Sueyoshi et al.: Geometrical and electronic properties of a family of high-spin cobalt(II) dimers bridged by 3,5-bis­(pyridin-2-yl)pyrazolate and 3,5-bis­(pyridin-2-yl)triazole lig... ##IUCrhttps://journals.iucr.org/paper?S2053229625008538

Abrahams et al.: Crystalline assemblies of a functionalized terphenyl ligand ##CrystalStructure##CoordinationPolymer##TerphenylLigand... ##IUCrhttps://journals.iucr.org/paper?S2053229625008459

Roy et al.: Crystallographic and physicochemical characterization of salcaprozoic acid: a structural basis for SNAC-enabled drug delivery systems ##SalcaprozoicAcid##SalcaprozateSodium##SNAC... ##IUCrhttps://journals.iucr.org/paper?S2053229625008691

Xu et al.: Helical Co-based coordination polymer based on asymmetric ligands: synthesis, structure and properties ##CrystalStructure##CoBasedComplex##HelicalChain... ##IUCrhttps://journals.iucr.org/paper?S2053229625008575

October issue @actacrystc.iucr.org The cover article features a step-by-step outline for determining molecular organic crystal structures from PXRD data #RSofPharmacy #UniofReading #UniRdg_Chem #cuspai #EPSRC #openaccess #IUCr #crystallography journals.iucr.org/c/issues/202...

September issue @actacrystc.iucr.org The cover article reports the complex disorder of sparsentan modelled using energy calculations #Innsbruck #Christian #Doppler #Laboratory #disorder #conformation #pharmaceutical #sparsentan #SST #openaccess #IUCr journals.iucr.org/c/issues/202...

Gelbrich et al.: The disordered structure of sparsentan: energy calculations for com­peting chain con­for­mations ##CrystalStructure##Disorder##EnergyCalculations... ##IUCrhttps://journals.iucr.org/paper?S2053229625007181

Kuś et al.: Crystal structures of selected hy­droxy­methyl and sulfanyl­methylaryl derivatives ##CrystalStructure##Hydroxymethyl##Sulfanylmethylaryl... ##IUCrhttps://journals.iucr.org/paper?S2053229625007314

Pearson et al.: An energetic study of differences in crystallization of N-(furan-3-yl)benzamide and N-(thio­phen-3-yl)benzamide ##CrystalStructure##Disorder##MolecularInteractionEnergies... ##IUCrhttps://journals.iucr.org/paper?S2053229625006886

Yuan et al.: Luminescence modulation via solvent-triggered single-crystal-to-single-crystal transformation in a non-porous mol­ecular crystal ##CrystalStructure##SCSCTransformation##ModulatedLuminescence... ##IUCrhttps://journals.iucr.org/paper?S2053229625007193

Ojha et al.: Syn- and anti-rotamers of the ortho-stereoisomer [Pt{(o-BrC6F4)N(CH2)2NEt2}Cl(py)] ##CrystalStructure##PlatinumAnticancerAgent##SynAndAntiRotamers... ##IUCrhttps://journals.iucr.org/paper?S2053229625006837

Lan et al.: Synthesis and crystal structures of two cocrystals of imidazo[1,2-a]pyridine-3-carbo­nitrile with nitro-substituted benzoic acid and phenol ##Cocrystal##Synthesis##CrystalStructure... ##IUCrhttps://journals.iucr.org/paper?S2053229625006965

Plouviez et al.: Ce, Gd and Yb accumulation in microalgae: an L-edge XAS study ##CrystalStructure##Lanthanide##XAFS... ##IUCrhttps://journals.iucr.org/paper?S2053229625007156

M​okoto et al.: The cleavage of indinavir sulfate: synthesis and characterization of a cis-1-amino-2-indanol salt ##CrystalStructure##indinavir##SolvationCrystallization... ##IUCrhttps://journals.iucr.org/paper?S2053229625005807

August issue @actacrystc.iucr.org The cover features a study of celecoxib peroxide, an oxidative degradation product of celecoxib #Chuzhou #University #Jiangsu #Hansyn #Pharmaceutical #celecoxib #peroxide #Hirshfeld #MEP #API #BDE #crystallography #IUCr journals.iucr.org/c/issues/202...

M​a et al.: Synthesis and characterization of celecoxib peroxide: crystal structure, theoretical analysis, thermochemistry and bond dissociation energy ##CelecoxibPeroxide##CrystalStructure##HirshfeldSurface... ##IUCrhttps://journals.iucr.org/paper?S2053229625006448

M​üller et al.: Concomitant colour polymorphs of (Z)-N-(4-fluoro­phen­yl)-2-oxo­propane­hydrazonoyl chloride ##HydrazonoylChloride##HydrogenBonding##ColourPolymorphism... ##IUCrhttps://journals.iucr.org/paper?S2053229625006618

Luo et al.: A hexa­fluoro­acetyl­acetonate–neo­dym­ium(III) com­plex with solvated pyridazine linked by hy­dro­gen bonds ##CrystalStructure##Pyridazine##Hexafluoroacetylacetonate... ##IUCrhttps://journals.iucr.org/paper?S2053229625006047

Sangavi et al.: Structural and supra­molecular inter­actions of 2-amino­thia­zolium 3,5-di­nitro­benzoate monohydrate ##HydratedMolecularSalt##MolecularAssembly##HeterodimericSynthon... ##IUCrhttps://journals.iucr.org/paper?S2053229625006163

Li and Fu: Synthesis, structure and blue-light emission of a zero-dimensional zinc halide with the 4-(4-chloro­phen­yl)pyridinium cation ##CrystalStructure##ZincHybridHalide##PyridineCation... ##IUCrhttps://journals.iucr.org/paper?S2053229625005200

Peter G. Jones: Good data with `bad' reflections: the employment of non-spherical scattering factors in the redetermination of the structure of O-ethyl N-phenyl­carbamate ##Thiourea##Carbamate##HydrogenBonding... ##IUCrhttps://journals.iucr.org/paper?S2053229625005959

D​omagała et al.: Supra­molecular architectures in the crystal structures of six chro­mone derivatives: Hirshfeld surface and energy framework analyses ##CrystalStructure##Chromone##HydrogenBond... ##IUCrhttps://journals.iucr.org/paper?S2053229625005674

July issue @actacrystc.iucr.org The cover article outlines lessons that can be learned from the the profiles and quality of refined MicroED structures #MicroED #electrondiffraction #ED #qualityindicator #bestpractice #cryoEM #Goldstandard #openaccess #IUCr journals.iucr.org/c/issues/202...

Rios-Alegre et al.: Novel bioactive coumarin derivatives: structural features and predictive bioactivity evaluation ##Bioactive##Coumarin##SyntheticPathway... ##IUCrhttps://journals.iucr.org/paper?S2053229625005583

Glenn P. A. Yap: Electron diffraction in structural chemistry ##ElectronDiffraction... ##IUCrhttps://journals.iucr.org/paper?S2053229625003444

Tejchman et al.: Structural insights into 3-[5-(chloro­benzyl­idene)rhodanine]propionic acid isomers with anti­bacterial activity ##CrystalStructure##HydrogenBonding##RhodanineDerivatives... ##IUCrhttps://journals.iucr.org/paper?S2053229625005169

Khakurel and Mahmoudi: Structure of l-arginine and detection of trace dl-arginine by 3D ED ##CrystalStructure##SingleCrystalStructure##LArginine... ##IUCrhttps://journals.iucr.org/paper?S2053229625005091

Unge et al.: Standards for MicroED ##MicroED##ElectronDiffraction##QualityIndicator... ##IUCrhttps://journals.iucr.org/paper?S2053229625004875

Zhao and Lian: Investigation of the third-order nonlinear optical properties of a cobalt(II) com­plex constructed from 4,4′-oxydi­benzoic acid and 4,4′-(1H-pyrazole-3,5-di­yl)di­pyridine ... ##IUCrhttps://journals.iucr.org/paper?S2053229625005133

June issue @actacrystc.iucr.org The cover article is an exploration of the structure and interactions of synthetic pesticide Aminocarb #WitsSCC #URIC #noncovalent #DFT #aminocarb #synthetic #pesticide #crystallography #openaccess #IUCr journals.iucr.org/c/issues/202... @iucrjournals.bsky.social

Cheng et al.: A threefold inter­penetrated three-dimensional cobalt(II) coordination polymer with highly sensitive sensing for nitro­furazone in aqueous medium ##CrystalStructure##CoordinationPolymer##Biphenyl... ##IUCrhttps://journals.iucr.org/paper?S2053229625004838

Wysocki et al.: Synthesis and structural characterization of ruthenium(II) hydrido carbonyl tri­phenyl­phosphine α-di­imine com­plexes with derivatives of 2,2′-bi­pyri­dine ##CrystalStructure... ##IUCrhttps://journals.iucr.org/paper?S2053229625004619

Cuenú-Cabezas et al.: Synthesis and crystal structure of (E)-3-tert-butyl-N-[(2-nitro­phen­yl)methyl­idene]-1-phenyl-1H-pyrazol-5-amine: a coplanar Schiff base with enhanced π-stacking inter­actions ##Pyrazole... ##IUCrhttps://journals.iucr.org/paper?S2053229625004334

Bruzeguini et al.: Synthesis and structure analysis of a cobalt(III) coordination com­pound obtained from a redox-active phenolate ligand and cobalt(II) ... ##IUCrhttps://journals.iucr.org/paper?S2053229625004309