First COVID-19 mol­ecular docking with a chalcone-based compound: synthesis, single-crystal structure and Hirshfeld surface analysis study

The first investigation of a chalcone derivative as an inhibitor for COVID-19 by a mol­ecular docking study toward a possible drug for COVID-19 is reported. Single-crystal structure and Hirshfeld surface analyses confirmed the stacked packing in the chalcone.

Crystal structure of a calcium(II)–pyrrolo­quinoline quinone (PQQ) complex outside a protein environment

Pyrrolo­quinoline quinone (PQQ) is an important cofactor of calcium- and lanthanide-dependent alcohol de­hydrogenases. The crystal structure of a Ca–PQQ com­plex (Ca₃PQQ₂·13H₂O) is reported for the first time outside a protein environment.

Removing the C-terminal protecting group enlarges the crystal size: Z–(Gly–Aib)₂–OH·H₂O

An achiral tetrapeptide forms hydrogen bonds in all crystal directions. One peptide molecule is directly hydrogen bonded to five others and via water mol­ecules to another six.

Crystal structure and photophysical properties of a novel polyoxomolybdate porphyrin

A novel polyoxomolybdate with a diprotonated porphyrin as counter-cation is reported. The compound shows a red photoluminescence emission in N,N-di­methyl­formamide (DMF) solution.

Synthesis, crystal structure and luminescence properties of a new samarium borate phosphate, CsNa₂Sm₂(BO₃)(PO₄)₂

The crystal structure of CsNa₂Sm₂(BO₃)(PO₄)₂ is reported, together with its orange-light-emitting properties with an optimized Sm³⁺ concentration by doping with a Gd³⁺ com­ponent.

Assembly of two novel coordination polymers by selecting ditopic or chelating auxiliary ligands with naphthalene-2,6-di­carb­oxy­lic acid: synthesis, structure and luminescence sensing

To develop more crystalline chemical sensors for the selective detection of Fe³⁺, two novel two-dimensional (2D) coordination polymers of naphthalene-2,6-di­carb­oxy­lic acid have been prepared using solvothermal methods, one of which exhibits highly selective sensing for the Fe³⁺ ion.

Dibenzoate esters of cis-tetra­lin-2,3-diol as analogs of (–)-epigallocatechin gallate: synthesis and crystal structure of anti­cancer drug candidates

Six synthetic analogs of (−)-epigallocatechin gallate sharing a common tetra­lindiol dibenzoate core were synthesized and fully characterized.

A two-dimensional organic–inorganic lead iodide perovskite: poly[bis­(3-fluoro­cyclo­butyl­ammonium) [di-μ-iodido-di­iodido­plumbate(VI)]]

Bis(3-fluoro­cyclo­butyl­ammonium) tetra­iodido­plumbate(VI) is a two-dimensional lead iodide perovskite with an experimental band gap E_g of 2.44 eV.

Albofungin and chloro­albofungin: anti­biotic crystals with 2D but not 3D isostructurality

The crystal structures of the potent anti­biotics albofungin and its chlorinated analogue chloro­albofungin have been determined after their isolation from Streptomyces chrestomyceticus. The N-amino­quinolone mol­ecular arrangement, regiochemistry of chloro substitution and absolute stereochemistry at three chiral centres of the xanthone rings (10S, 13R and 19R) are confirmed and their supra­molecular assemblies are com­pared, which show 2D rather than 3D isostructurality.