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Crystallographic and Computational Analysis of Oxyma B Cocrystals with Nitrogen-Containing Coformers: The Relevant Role of n → π* Interactions in Their Diverse Supramolecular Architectures
1. Introduction Click to copy section linkSection link copied! Oximes (RR’C = NOH) represent a multifunctional class of organic compounds with a wide range of commercial applications. They are widely used in pharmaceuticals, natural products, heterocycles, and polymer industries. (1) Within oximes family, Oxyma-Pure and its derivatives constitute an important subclass, particularly noted for their use as coupling additives in peptide synthesis.
Interplay of Hydrogen Bonding and π-Stacking Interactions in the Solid-State Architecture of Pranoprofen: Insights from X-ray Crystallography and Computational Analyses
Interplay of Hydrogen Bonding and π-Stacking Interactions in the Solid-State Architecture of Pranoprofen: Insights from X-ray Crystallography and Computational Analyses We report the crystal structure of the anhydrous form of pranoprofen, a valuable non-steroidal anti-inflammatory drug, solved by direct space methodologies from Synchrotron X-Ray Powder Diffraction Data.
New salt-solvates of Mirabegron: a combined experimental and computational study
New salt-solvates of Mirabegron: a combined experimental and computational study† A comprehensive combined virtual and experimental multicomponent solid-form screening has been carried out for Mirabegron, a therapeutic agent widely prescribed for interstitial cystitis and bladder pain syndrome. This systematic approach resulted in the identification and structural elucidation of three novel salt/solvate forms using single-crystal X-ray diffraction (SCXRD).
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