The cadmium oxidotellurates(IV) Cd₅(TeO₃)₄(NO₃)₂ and Cd₄Te₅O₁₄

The crystal structure of Cd₅(TeO₃)₄(NO₃)₂ exhibits a distinct layered arrangement, whereas Cd₄Te₅O₁₄ crystallizes with a framework structure.

Crystal structure and Hirshfeld surface analysis of bis­(benzoyl­acetonato)(ethanol)dioxidouranium(VI)

In the complex, the ligand binds to the metal through an oxygen atom. The geometry of the seven-coordinate U atom is penta­gonal bipyramidal, with the uranyl O atoms in apical positions.

Synthesis and structure of penta­kis­(2-aminopyridinium) nona­vanado(V)tellurate(VI)

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.

Crystal structures and circular dichroism of {2,2′-[(1S,2S)-1,2-di­phenyl­ethane-1,2-diylbis(nitrilophenyl­methanylyl­idene)]diphenolato}nickel(II) and its ethanol solvate

A chiral nickel(II) Schiff base complex derived from 2-hy­droxy­benzo­phenone and (1S,2S)-1,2-di­phenyl­ethyl­enedi­amine shows a λ conformation of the central di­amine chelate ring. The substituents on the C=N carbon atoms significantly affect the circular dichroism spectra.

Crystal structure of a solvated dinuclear Cu^II complex derived from 3,3,3′,3′-tetra­ethyl-1,1′-(furan-2,5-di­carbonyl)bis­(thiourea)

In the title compound, [Cu₂(L)₂]·2CH₂Cl₂, the Cu^II ions coordinate two (S,O)-chelating aroyl­thio­urea moieties of doubly deprotonated furan-2,5-di­carbonyl­bis­(N,N-di­ethyl­thio­urea) (H₂L) ligands. The coordination geometry of the metal centers is best described as a flat isosceles trapezoid with a cis arrangement of the donor atoms.

Crystal structure and Hirshfeld-surface analysis of an etoxazole metabolite designated R13

The crystal structure of a metabolite of the insecticide/acaricide etoxazole, designated R13 is presented along with a Hirshfeld surface analysis of inter­molecular inter­actions present in the crystal structure.

Crystal structure, Hirshfeld surface analysis, DFT and mol­ecular docking studies of ethyl 5-amino-2-bromo­isonicotinate

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.

Crystal structure of AlPCl₈

The crystal structure of aluminium phospho­rus chloride was determined and refined using single-crystal X-ray diffraction data. The compound crystallizes in the ortho­rhom­bic space group Pbcm with the asymmetric unit comprises one Al atom, one P atom, and five Cl atoms. The structure is characterized by isolated AlCl₄ and PCl₄ tetra­hedra, isostructural with FePCl₈ and GaPCl₈.

Crystal structures of two polymorphs for fac-bromido­tricarbon­yl[4-(4-meth­oxy­phen­yl)-2-(pyridin-2-yl)thia­zole-κ²N,N′]rhenium(I)

Crystallization of the title compound from CH₂Cl₂/n-pentane (1:5 v/v) at room temperature gave two polymorphs, which crystallize in monoclinic (P2₁/c; α form) and ortho­rhom­bic (Pna2₁; β form) space groups. The Re^I complex mol­ecules in either polymorph adopt a six-coordinate octa­hedral geometry with three facially-oriented carbonyl ligands, one bromido ligand, and two nitro­gen atoms from one chelating ligand ppt-OMe. In the crystal, both polymorph α and β form di-periodic sheet-like architectures supported by multiple hydrogen bonds.

Crystal structure of 1,10-phenanthrolinium violurate violuric acid penta­hydrate

The crystal structure of the co-crystal salt solvate 1,10-phenanthrolinium violurate violuric acid penta­hydrate features a tri-periodic hydrogen-bonded network with the violurate and violuric acid residues each assembled into tapes and the phenanthrolinium cations residing in channels.

Synthesis, crystal structure and Hirshfeld surface analysis of N-(4-meth­oxy­phen­yl)picolinamide

The mol­ecular and crystal structure of N-(4-meth­oxy­phen­yl)picolinamide were studied and Hirshfeld surfaces and fingerprint plots were generated to investigate various inter­molecular inter­actions.