Crystal structure of the insecticide ethiprole (C₁₃H₉Cl₂F₃N₄OS): a case study of whole-mol­ecule configurational disorder

The crystal structure of the phenyl­pyrazole insecticide ethiprole is presented along with a step-by-step overview of the model building and refinement process.

Synthesis, characterization, and crystal structures of N,N′-bis­(2-di­alkyl­amino­phen­yl)thio­ureas

Two aryl-substituted thio­urea compounds, N,N′-bis­[2-(di­methyl­amino)­phen­yl]thio­urea (1) and N,N′-bis­[2-(di­ethyl­amino)­phen­yl]thio­urea (2), both exhibit intra­molecular hydrogen bonds, corresponding to the N—H resonance acquired from ¹H NMR spectroscopy. The other N—H bonds form close contacts with the sulfur atom in an adjacent mol­ecule. Different basicity of the NR₂ substituents accounts for the red shift of the N—H stretch in 1 compared to that of 2 acquired from IR spectroscopy.

Structural, Hirshfeld surface and three-dimensional inter­action energy studies of 2-(6-iodo-4-oxo-3,4-di­hydro­quinazolin-3-yl)ethane­sulfonyl fluoride

In the crystal, mol­ecules of the title compound are connected through C—H⋯N and C—H⋯O hydrogen bonds, I⋯O halogen bonds, π–π stacking inter­actions between the benzene and pyrimidine rings, and edge-to-edge electrostatic inter­actions, as shown by the analysis of the Hirshfeld surface and two-dimensional fingerprint plots, as well as inter­molecular inter­action energies.

Crystal structure of caesium di­methyl-N-benzoyl­amido­phosphate monohydrate

The crystal structure of the caesium salt of dimethyl-N-benzoyl­amido­phosphate is reported and discussed.

Syntheses and crystal structure of 4-[(pyridin-3-yl)diazen­yl]morpholine and 1-[(pyridin-3-yl)diazen­yl]-1,2,3,4-tetra­hydro­quinoline

The title triazene derivatives were synthesized using a diazo­nium inter­mediate that was obtained from 3-amino­pyridine and isoamyl nitrite.

Synthesis and structures of dinuclear palladium complexes with 1,3-benzimidazolidine-2-thione and 1,3-imidazoline-2-thione

The synthesis and structures of dinuclear palladium complexes with 1,3-benzimidazolidine-2-thione and 1,3-imidazoline-2-thione are reported.

Crystal structure and Hirshfeld surface analysis of two organic salts based on 1,3,4-thia­diazole derivatives

Two organic salts based on 1,3,4 thia­diazole derivatives have been obtained and their structures have been established by single-crystal X-ray analysis.

Synthesis, crystal structure and properties of bis­(iso­seleno­cyanato-κN)tetra­kis­(pyridine-κN)nickel(II)

In the crystal structure of the title compound, discrete centrosymmetric complexes are observed, in which the Ni cations are octa­hedrally coordinated by two terminal N-bonded seleno­cyanate anions and four pyridine coligands.

Crystal structure of barium dinickel(II) iron(III) tris­[orthophosphate(V)], BaNi₂Fe(PO₄)₃

The orthophosphate BaNi₂Fe(PO₄)₃ crystallizes in the α-CrPO₄ type of structure, in which edge-sharing [Ni₂O₁₀] octa­hedra are linked to PO₄ tetra­hedra and [FeO₆] octa­hedra to form a three-dimensional framework delimiting channels which house disordered Ba²⁺ cations.

Synthesis and topology analysis of chlorido­triphen­yl(tri­phenyl phosphate-κO)tin(IV)

In the title compound, a (3,−1) critical point is found on the topology path connecting the (PhO)₃P=O and SnPh₃Cl moieties, showing that an actual O—Sn covalent bond is formed between the phosphate and the stannane derivatives.

Organic–inorganic hybrid hexa­chlorido­stannate(IV) with 2-methyl­imidazo[1,5-a]pyridin-2-ium cation

The asymmetric unit of the title compound, (C₈H₉N₂)₂[SnCl₆], contains one cation in a general position and one-half of the dianion situated on an inversion centre. The octa­hedral SnCl₆^2– dianion is almost undistorted. The crystal structure can be seen as an arrangement of alternating organic and inorganic layers with little support from C—H⋯Cl—Sn contacts.

Syntheses and crystal structures of two di­naph­tho[2,1-d:1′,2′-f][1,3]dithiepine atropisomers

The mol­ecular and crystal structures of 1-(di­naphtho­[2,1-d:1′,2′-f][1,3]dithiepin-4-yl)-2,2-di­methyl­propan-1-ol and 2-(di­naphtho­[2,1-d:1′,2′-f][1,3]dithiepin-4-yl)-3,3-di­methyl­butan-2-ol, from asymmetric syntheses are reported.

The crystal structure of the selenide-based synthetic sulfosalt CuPbSb₃Se₆

Single crystals of copper lead tri­anti­mony hexa­selenide were obtained as a minor phase during systematic studies of the formation conditions of selenide-based sulfosalts. The crystal structure is an unusual representative of the family of sulfosalts. Instead of the expected galena-like slabs with octa­hedral coordination, it features mono and double-capped trigonal–prismatic, square-pyramidal and trigonal–bipyramidal coordination.

Syntheses and structures of ammonium transition-metal dialuminium tris­(phosphate) dihydrates (NH₄)MAl₄(PO₄)₃·2H₂O (M = Mn and Ni)

The aluminophosphate frameworks of the title compounds, (NH₄)MAl₂(PO₄)₃·2H₂O (M = Mn and Ni), consist of a three-dimensional array of vertex-sharing tetra­hedral PO₄ and trigonal–bipyramidal AlO₅ moieties, which delineate [001] twelve-membered channels in which the ammonium NH₄⁺ and transition-metal cations (M = Mn²⁺ and Ni²⁺) reside as charge compensators for the anionic aluminophosphate framework.

Crystal structures of rac-2,3-di­phenyl-2,3,5,6-tetra­hydro-4H-1,3-thia­zine-1,1,4-trione and N-[(2S,5R)-1,1,4-trioxo-2,3-di­phenyl-1,3-thia­zinan-5-yl]acet­amide

The syntheses and crystal structures of two thia­zinone compounds, in an enanti­opure form, are reported. The thia­zine rings in the two structures differ in their puckering, as a half-chair in the first and a boat pucker in the second.