Crystallography and molecular interactions

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Background and Aims: The aim of this study was to develop flurbiprofen-loaded pharmaceutical filaments using the HME technique, transform the filaments into pellets of appropriate size for capsule filling, and compare the drug release profile of the capsules with commercially available extended-release flurbiprofen ca…

Abstract Understanding the supramolecular architecture of 1,2,4-triazoles requires looking beyond static geometry to the energetic forces driving their assembly. In this paper, the preparation and the first SC-XRD determination of the molecular structure of 4-phenyl-5-(2-thienyl)-2,4-dihydro-3 H-1,2,4-triazole-3-thion…

Pyrazole derivatives occupy an important position in medicinal and pharmaceutical research owing to their diverse biological properties. Among these activities, anti-inflammatory and analgesic effects have attracted considerable attention because pyrazole-based compounds are known to interact with important mediators…

ABSTRACT An Isoniazid derivative, N' ‐isonicotinoylnicotinohydrazonamide ( 1 ), was synthesized via a reaction between Isoniazid and 3‐cyanopyridine. It was established that 1 adopts a keto conformation in the solid state, forming a 2D supramolecular network stabilized by N─H⋯O and N─H⋯N hydrogen bonds. The NMR studie…

Crystal structure prediction (CSP) is central to materials discovery, yet its efficiency and interpretability remain limited by the vast configurational space and reliance on costly local optimizations. Although template-based and machine-learning (ML) approaches have improved exploration, many approaches still requir…

The design of pharmaceutical cocrystals has become an effective strategy for tailoring the solid-state properties of active molecules through predictable intermolecular interactions. Picolinamide (PIC) and saccharin (SAC) are well-known substances receiving application in pharmaceutical industry as excipients (taste-m…

The design of pharmaceutical cocrystals has become an effective strategy for tailoring the solid-state properties of active molecules through predictable intermolecular interactions. Picolinamide (PIC) and saccharin (SAC) are well-known substances receiving application in pharmaceutical industry as excipients (taste-m…

Cocrystals have gained increasing attention as an effective solid-state strategy to modify physicochemical properties through noncovalent intermolecular interactions in keeping or improving pharmacological activity. In this study, a 2:1 isoniazid (INH) : succinic acid (SUC) cocrystal, where the coformers are linked th…