forthcoming articles

Three bis­(acyl­thio­urea) positional isomers containing two ferrocenyl groups were synthesized and characterized by X-ray diffraction. Their various noncovalent inter­actions and crystal assemblies have been investigated.

We present the synthesis and characterization of four new crystalline forms of a N-derivative of L-phenyl­alanine with 2-naphthaldehyde, where the com­pound adopts different unfolded and folded conformations depending on its charge state and the supra­molecular environment. To characterize and classify such conformational differences, we propose the use of a dimensionless Shape Factor qu­antity defined as the Structural Aspect Ratio (SA_R), which proves to be a simple but useful tool for this purpose, and its application could be extended to other conformational studies.

The structure solution and refinement from three-dimensional electron diffraction (3D ED) data of elemental sulfur, known to sublimate in the vacuum of transmission electron microscopes, is enabled through the use of an environmental cell with a micro-electromechanical system. This work represents the first step in characterizing sulfur's transformation into lithium polysulfides using in-situ 3D ED.

Fast readout event-based electron counting (EBEC) is a promising detection strategy to determine accurate ab initio structures of beam-sensitive small mol­ecules by MicroED. A fast EBEC approach enhances the dynamic range of MicroED data by limiting the likelihood of coincidence loss (CL) – the undercounting of electrons due to their spatially and temporally unresolved arrival on a direct electron detector. As implemented by new counting detectors, fast EBEC allows structure-worthy data sets to be captured from individual small-mol­ecule crystals in under a minute.