In the crystal of the title compound, the mol­ecules are connected through C—H⋯O hydrogen bonds, generating [100] chains, which are crosslinked by weak π–π stacking inter­actions.

The synthesis, crystal structure, and a Hirshfeld surface analysis of 5-methyl-1H-pyrazol-3-yl 4-nitro­benzene­sulfonate (C10H9N3O5S), a bioactive compound with pharmacological potential are presented.

Theoretical and experimental structural studies of the title compound were undertaken using X-ray and DFT methods. The inter­actions present in the crystal were analyzed using Hirshfeld surface and MEP surface analysis. Docking studies with a covid-19 main protease (PDB ID: 6LU7) as the target receptor indicate that the synthesized compound may be a potential candidate for pharmaceutical applications.

In the title compound, the tellurium(VI) and vanadium(V) atoms are statistically disordered over two of the ten metal-atom sites in the unprotonated [TeV9O28]5– heteropolyanion.

Celecoxib peroxide, a com­pound identified in destruction experiments and the long-term storage of the active pharmaceutical ingredient celecoxib, was synthesized and characterized using a variety of techniques.

In the title compound, C—H⋯O and C—H⋯F hydrogen bonds link the mol­ecules into a three-dimensional network.

In the title compound, the dihedral angle between the 2H-chromen-2-one ring system and the tert-butyl­acetate moiety is 72.72 (9)°. In the crystal, the mol­ecules are connected through C—H⋯O hydrogen bonds, generating C(6) chains and R22(20) loops that are reinforced by weak aromatic π–π stacking inter­actions.

In the complex anion in the title compound, the cerium cation adopts a near regular square-anti­prismatic coordination geometry arising from four O,O-bidentate ligands.

The title was synthesized by an acid–phenol coupling reaction. In the crystal, inter­molecular C—H⋯O hydrogen bonding links the mol­ecules into cyclic hydrogen-bonded inversion dimers with R22(10) motifs. The packing is further consolidated by C—H⋯π and C—Cl⋯π inter­actions.

The crystal structure and a Hirshfeld surface analysis of 1-[2-(2-chloro­eth­oxy)eth­yl]-2-methyl-4-nitro-1H-imidazole are presented.

The extended structure features short halogen⋯oxygen contacts [Cl⋯O = 2.991 (3), Br⋯O = 3.139 (2) Å], forming mol­ecular sheets lying parallel to (101).

The title mol­ecule was studied by single-crystal X-ray analysis to determine its mol­ecular structure and investigate the inter­actions present. Theoretical (obtained by DFT) and experimental parameters were compared. In addition, Hirshfeld surface analysis and mol­ecular docking studies were performed for the title compound as a ligand and the SARS-Covid-2 (PDB ID:8BEC) protein, specifically the Omicron variant.

The crystal structure of the title compound is consolidated by C—H⋯O, C—H⋯π and π–π stacking inter­actions. Hirshfeld surface analysis indicates that dispersion energy makes a dominate contribution to the isosurface.

The mol­ecules of the title compound are linked by weak C—H⋯O and C—H⋯π inter­actions.

The synthesis, crystal structure and a Hirshfeld surface analysis of tris­{N,N-diethyl-N′-[(4-nitro­phen­yl)(oxo)meth­yl]carbamimido­thio­ato}cobalt(III) are described.