Visualizing and teaching crystallographic symmetry using Jmol doi.org/10.1107/S205... #OtterbeinStem #StOlaf #Jmol #SpaceGroup #Symmetry #Visualizer #symmetry #visualization #openaccess #IUCr #crystallography

May issue @actacrystc.iucr.org The cover article reports on various salt and hydrate forms of famotidine, an API used to treat GERD @NotreDame @NDscience @UNDResearch @saintmarys #openaccess #crystallography #PADs #API @IUCr #GERD #gastroesophageal journals.iucr.org/c/issues/202... #openaccess

Ben et al.: Hydrogen-bonding functionalities of selected azole drugs in multicom­ponent crystals with tri­thio­cyanuric acid ##CrystalStructure##Imidazole##Triazole... ##IUCrhttps://journals.iucr.org/paper?S2053229626003219

Palme et al.: Nucleophilic substitution of a phthalimidyl group with morpholine in an N1-methyl-1,2,3-triazole: crystallographic evidence for migration of the methyl­ene bridge ##DipolarCycloaddition##ClickChemistry... ##IUCrhttps://journals.iucr.org/paper?S2053229626002810

M​ateja-Pluta et al.: Towards the design of ionic traps incorporating thermo­labile units: structural characterization of copper(II), palladium(II) and rhodium(II) com­plexes with t... ##IUCrhttps://journals.iucr.org/paper?S2053229626002676

Wu et al.: A new nickel coordination polymer electrode material for hybrid supercapacitors ##CrystalStructure##NickelCoordinationPolymer##ElectrodeMaterial... ##IUCrhttps://journals.iucr.org/paper?S205322962600207X

Ivlev et al.: Preparation and powder X-ray diffraction study of tecovirimat hydrate solid forms ##CrystalStructure##CrystalPolymorphism##Tecovirimat... ##IUCrhttps://journals.iucr.org/paper?S2053229626001154

March issue @actacrystc.iucr.org The cover article reports the effects of protonation in salt forms of a thioamide @UniStrathclyde @StrathScience @UniStrathLibIT #pharmaceutical #salt #protonation #protonated #thioamide #carbocation #crystallography #openaccess journals.iucr.org/c/issues/202...

Bhatt et al.: Room-tem­per­a­ture crystal structures of [CH(NH2)2]3Sb2X9 (X = Br and I) ##CrystalStructure##HalidePerovskite##Crystallography... ##IUCrhttps://journals.iucr.org/paper?S2053229626000811

D​onnachie et al.: Salt forms of a thio­amide: protonation of 1-(2,6-di­methyl­phen­yl)thio­urea ##CrystalStructure##Pharmaceutical##SaltSelection... ##IUCrhttps://journals.iucr.org/paper?S2053229626001804

Yin et al.: Chiral three-dimensional cadmium(II)-based coordination polymer constructed from a lactic acid derivative: synthesis, structure and properties ##ChiralCoordinationPolymer##LacticAcidDerivative... ##IUCrhttps://journals.iucr.org/paper?S2053229626001671

Olczak et al.: Structural and biological aspects of (tert-but­oxy­carbonyl­amino)­propyl­phospho­nate derivatives ##TertButoxycarbonylaminoPropylphos­pho­nate##AntibacterialActivity##Enantiomer... ##IUCrhttps://journals.iucr.org/paper?S2053229626001440

M​oore et al.: Structure and optical properties of a trimetallic cobalt–molybdenum–sodium metal–organic framework ##CrystalStructure##DED##MetalorganicFramework... ##IUCrhttps://journals.iucr.org/paper?S205322962600077X

February issue @actacrystc.iucr.org The cover article reports the effect of bromine substitution on the aromatic ring and enone connectivity of a series of ferrocenyl chalcones @UPR_Oficial @NatsciUPR @procoretech #ferrocene #ClaisenSchmidt @IUCr #crystallography journals.iucr.org/c/issues/202...

Książkiewicz et al.: Cocrystals of cyan­uric acid with di(pyridin-4-yl)sulfane and 1,2-di(pyridin-4-yl)disulfane obtained from 4-mer­cap­to­pyridine under controlled illumination conditions... ##IUCrhttps://journals.iucr.org/paper?S2053229626000665

Adach et al.: Crystal structures, cytotoxicity studies and inter­actions with DNA of novel in situ-formed com­plexes containing N-scorpionate ligands and nitrate ions ##NScorpionateCobaltIIComplexe##OnePotSynthesis... ##IUCrhttps://journals.iucr.org/paper?S2053229626000525

Burgos-Suazo et al.: Comprehensive structural analysis of bromine-substituted ferro­cen­yl chalcones ##Ferrocene##BromineSubstitutedFerrocenylChalcones##Bromine... ##IUCrhttps://journals.iucr.org/paper?S2053229625011647

Hu and Lian: Synthesis, structure and characterization of a new glycolate: sodium glycolate–glycolic acid (1/1) ##CrystalStructure##SodiumGlycolateGlycolicAcid##PotassiumGlycolateGlycolicAcid... ##IUCrhttps://journals.iucr.org/paper?S2053229625011635

Chakiris et al.: Two different products from the reaction between 2-formyl­phenyl­boronic acid and benzhydrazide: benzoyl hydrazone versus dimer ##CrystalStructure##Diazaborine##Hydrazone... ##IUCrhttps://journals.iucr.org/paper?S2053229625011167

Xinwen et al.: A new combination to form a solid solution: a solid solution consisting of a stabilized phenoxyl radical and its meth­oxy analogue ##CrystalStructure##PolymorphicSolidSolution##DFTCalculations... ##IUCrhttps://journals.iucr.org/paper?S2053229625011441

Lu et al.: Methyl-group effect on the photoluminescence property of a spiro­[fluorene-9,9'-xanthene] derivative: a structural and spectroscopic study ##CrystalStructure##PpiroFluorene99Xanthene##OrganicMolecule... ##IUCrhttps://journals.iucr.org/paper?S2053229625011246

Lovstedt et al.: Charge-enhanced pyri­dyl tri­fluoro­borate organocatalysts: crystal structures and reactivity ##Organocatalysts##CrystalStructure##ChargeEnhancedReactivity... ##IUCrhttps://journals.iucr.org/paper?S2053229625010629

Buikin et al.: Two isotypical disodium salts of the anti­hypertensive agent valsartan ##PowderDiffraction##ActivePharmaceuticalIngredient##API... ##IUCrhttps://journals.iucr.org/paper?S2053229625010216

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