Chlorine is one of the most common atoms present in small-molecule drugs beyond carbon,
hydrogen, nitrogen, and oxygen. There are currently more than 250 FDA-approved chlorine …

Proteins and their assemblies are fundamental for living cells to function. Their complex
three-dimensional architecture and its stability are attributed to the combined effect of …

As an orthogonal principle to the established (hetero) aryl halides, we herein highlight the
usefulness of CF2X (X= Cl, Br, or I) moieties. Using tool compounds bearing CF2X moieties …

Molecular interaction fields (MIFs) are three-dimensional interaction maps that describe the
intermolecular interactions expected to be formed around target molecules. In this paper, a …

Co-crystallization of the push–pull nitriles NCNR2 (R2= Me2 1, C4H8 2, C5H10 3, and
C4H8O 4) with iodo-substituted perfluorobenzenes (1, 4-diiodotetrafluorobenzene− 1, 4-FIB …

Hydrogen bonds (HBs) and halogen bonds (XBs) are two essential non-covalent
interactions for molecular recognition and drug design. As proteins are heterogeneous in …

We conceived the Halogen-Enriched Fragment Library (HEFLib) to investigate the potential
of halogen bonds in the early stages of drug discovery. As the number of competitive …

The ability of an anion to serve as electron‐accepting Lewis acid in a noncovalent bond is
assessed via DFT calculations. NH3 is taken as the common base, and is paired with a host …

Two novel halogenated (Br-and F-) quinazoline derivatives, namely [(E)-4-(2-((6-
bromopyridin-2-yl) methylene) hydrazinyl) quinazoline](L1) and [(E)-4-(2-((3-fluoropyridin-2 …

Herein, we report the direct synthesis of a wide variety of functionalized aromatic bromides,
chlorides, iodides, and fluorides from nitroarenes in a sequential one-pot operation. This …