Nucleophilic substitution of a phthalimidyl group with morpholine in an N¹-methyl-1,2,3-triazole: crystallographic evidence for migration of the methyl­ene bridge

X-ray crystallography revealed that the reaction of 2-{[4-(4-bromo­phen­yl)-1H-1,2,3-triazol-1-yl]meth­yl}phthalimide with morpholine led to substitution of the phthalimide group, including migration of the substituent from N1 to N2 on the 1,2,3-triazole ring.

Preparation and powder X-ray diffraction study of tecovirimat hydrate solid forms

Methods for the reproducible preparation of three hydrated solid forms of the anti­viral com­pound tecovirimat (forms I, III and V) are presented and their phase purity was verified by powder X-ray diffraction using Rietveld refinement. Two previously unknown crystal structures (forms I and V) were determined. A com­parative analysis was made of the hy­dro­gen-bonding motifs and packing architectures.

A new nickel coordination polymer electrode material for hybrid supercapacitors

A new nickel coordination polymer electrode material for hybrid supercapacitors, Ni–mba–K(Na) (where H₂mba is 2-mercapto­benzoic acid), has been prepared successfully. As a hybrid capacitor electrode material, Ni–mba–K(Na) exhibits the characteristics of battery-type electrode materials but demonstrates a capacitor-level power density and cycling stability. This structure and performance have rarely been investigated.

Towards the design of ionic traps incorporating thermo­labile units: structural characterization of copper(II), palladium(II) and rhodium(II) com­plexes with the amino­alcohol ligand 2-(pyridin-2-yl­amino)­ethanol

Single-crystal X-ray diffraction studies of Cu, Pd and Rh com­plexes with 2-(pyridin-2-yl­amino)­ethanol (L¹) revealed how ligand flexibility governs coordination geometry, supra­molecular organization and crystallization behaviour. These results provide valuable structural insights for the rational design of thermo­labile ionic traps incorporating thermosensitive moieties.

Hydrogen-bonding functionalities of selected azole drugs in multicom­ponent crystals with tri­thio­cyanuric acid

The supra­molecular architectures of five azole active pharmaceutical ingredients (econazole, luliconazole, isavuconazole, voriconazole and posaconazole) with tri­thio­cyanuric acid have been characterized, with particular emphasis on their hy­dro­gen-bonding functionalities. Four-mol­ecule assemblies formed via N—H⋯N/S hy­dro­gen bonds are analyzed using QTAIM and pairwise inter­action energy calculations to elucidate their stability and energetics.

A case study of the inflexible bis-hy­dra­zone butane-2,3-dione bis­[(fluoren-9-yl­idene)hy­dra­zone]

The crystal structure of a fluorenone-based bis-hy­dra­zone consists of two fluorene subunits connected by a conjugated =N—N=C—C=N—N= chain. Although the mol­ecule contains bulky fluorenyl moieties on the termini of the conjugated chain, no polymorphs or solvated phases were obtained. Two methyl groups were found to be located in trans positions with respect to one another, thereby providing extra stability to the rigid bis-hy­dra­zone.