The cleavage of indinavir sulfate: synthesis and characterization of a cis-1-amino-2-indanol salt

The cleavage of the HIV-1 protease inhibitor indinavir sulfate via a one-pot synthesis reflux method with 1-propanol successfully yielded the salt bis­(2-hy­droxy-2,3-di­hydro-1H-inden-1-aminium) sulfate. The reported analysis provides com­prehensive insights into the chemical transformations, thermal stability and mol­ecular inter­actions of the salt, contributing to its characterization and potential pharmaceutical applications.

Ce, Gd and Yb accumulation in microalgae: an L-edge XAS study

Ce, Gd and Yb can accumulate as lanthanide phosphate structures in the alga Chlamydomonas reinhardtii supplemented with phosphate and may be a means of selective recovery of rare earths from solution. EXAFS structural analysis of some Ce, Gd and Yb com­pounds are presented.

Syn- and anti-rotamers of the ortho-stereoisomer [Pt{(o-BrC₆F₄)N(CH₂)₂NEt₂}Cl(py)]

Greater solubility facilitated the isolation of the ortho-isomer from a CO₂ elimination reaction that primarily produces the para-isomer [Pt{(p-BrC₆F₄)N(CH₂)₂NEt₂}Cl(py)]. X-ray crystallography identified the syn and anti rotamers of [Pt{(o-BrC₆F₄)N(CH₂)₂NEt₂}Cl(py)] in a 1:1 ratio in the solid state.

Synthesis and crystal structures of two cocrystals of imidazo[1,2-a]pyridine-3-carbo­nitrile with nitro-substituted benzoic acid and phenol

Two cocrystals of imidazo[1,2-a]pyridine-3-carbo­nitrile (IPC) with 4-nitro­benzoic acid (4-NBA) and 4-nitro­phenol (4-NP) have been synthesized and characterized by X-ray diffraction and Hirshfeld surface analysis, and their noncovalent inter­actions have been investigated.

Luminescence modulation via solvent-triggered single-crystal-to-single-crystal transformation in a non-porous mol­ecular crystal

Stimuli-responsive crystalline materials have demonstrated significant potential for developing multifunctional systems. Achieving precise structural modulation in non-porous crystalline phases remains a critical challenge. We report a solvatomorphic crystalline system which exhibits a reversible single-crystal-to-single-crystal transformation during aceto­nitrile adsorption/desorption, establishing a strategy for modulating optoelectronic properties in non-porous crystalline materials through solvent-mediated structural reorganization.

The disordered structure of sparsentan: energy calculations for com­peting chain con­for­mations

A mol­ecule of sparsentan displaying a com­plex disorder of multiple sections was modelled and inter­preted with the assistance of energy calculations.

An energetic study of differences in crystallization of N-(furan-3-yl)benzamide and N-(thio­phen-3-yl)benzamide

The crystal structures of two closely related N-aryl­benzamides were determined experimentally using single-crystal X-ray diffraction. Predictions of the geometries of the gas-phase isolated conformers corresponding to mol­ecules in the crystals were performed with DFT calculations. Mol­ecular inter­action energies and Hirshfeld surfaces were used to examine differences in the energetics of nearest-neighbor inter­actions in the two crystalline environments in an attempt to explain any conformational changes that may occur upon crystallization of the isolated conformers.

Crystal structures of selected hy­droxy­methyl and sulfanyl­methylaryl derivatives

The crystal structures of eight com­pounds whose common features are an aromatic ring (naphthalene or benzene) and the presence of two hy­droxy­methyl groups or two sulfanylmethyl groups were examined. Different positions of the functional groups relative to each other are of fundamental importance in the way the mol­ecules of these com­pounds are packed in the unit cells and have an impact on the inter­actions of the mol­ecules of the com­pounds with each other.