Crystal structure of [Th₃(Cp*)₃(O)(OH)₃]₂Cl₂(N₃)₆: a discrete mol­ecular capsule built from multinuclear organothorium cluster cations

The reported mol­ecule contains a number of unusual features, the most notable being a finite yet exceptionally long cyclic metal-azido chain. These rare features are the consequence of both sterically protecting Cp* ligands and highly bridging oxide and hydroxide ligands in the same system and illustrate the inter­esting new possibilities that can arise from combining organometallic and solvothermal f-block element chemistry.

Formation of 1-(thia­zol-2-yl)-4,5-di­hydro­pyrazoles from simple precursors: synthesis, spectroscopic characterization and the structures of an inter­mediate and two products

(E)-1-(4-Meth­oxy­phen­yl)-3-[4-(prop-2-yn­yloxy)phen­yl]prop-2-en-1-one undergoes a cyclo­condensation reaction with thio­semicarbazide to form the corresponding 4,5-di­hydro­pyrazole-1-arbo­thio­amide, which in turn undergoes further cyclo­addition with phenacyl bromides to form 4,5-di­hydro-1-(thia­zol-2-yl)pyrazoles. The mol­ecules adopt an overall T-shape structure. Different combinations of hydrogen bonds link the mol­ecules into ribbons or sheets.

Geometrical variations of two manganese(II) complexes with closely related quinoline-based tripodal ligands

The crystal structures of two manganese(II) complexes have been determined. The manganese(II) centers of each structure are six-coordinate with a distorted octa­hedral geometry. Although the bis­(quinolin-2-ylmeth­yl)ethanamine ligands differ only by a methyl group, the structure of one complex is dimeric with bridging acetate ligands and exhibits a trans coordination and coplanarity of the quinolyl moieties, while the second complex is monomeric with a cis coordination of the quinolyl groups.

Crystal structures of 6-nitro­quinazolin-4(3H)-one, 6-amino­quinazolin-4(3H)-one and 4-amino­quinazoline hemi­hydro­chloride dihydrate

6-Nitro­quinazolin-4(3H)-one (C₈H₅N₃O₃), 6-amino­quinazolin-4(3H)-one (C₈H₇N₃O) and 4-amino­quinazoline hemi­hydro­chloride dihydrate (C₁₆H₁₉N₆O₂) were synthesized and their structures were determined by single-crystal X-ray analysis.

Crystal structure and Hirshfeld surface analysis of (E)-4-({2,2-di­chloro-1-[4-(di­methyl­amino)­phen­yl]ethenyl}diazen­yl)benzo­nitrile

C—H⋯N inter­actions, C—Cl⋯π inter­actions, and π-π stacking inter­actions link mol­ecules in the crystal, forming mol­ecular layers approximately parallel to the (002) plane. The three-dimensional packing is strengthened by additional weak van der Waals inter­actions between the layers.

Crystal structure of nafamostat dimesylate

The crystal structure of nafamostat mesylate is reported, which is a serine protease inhibitor, and has been applied clinically as an anti­coagulant and anti-inflammatory agent.

Hexa-μ-acetato-chlorido­(μ-N,2-dioxodo­benzene-1-carboximidato)-μ₃-oxido-tetra­iron(III)–water (1/1) and hexa-μ-acetato-(μ-N,2-dioxodo­benzene-1-carboximidato)fluorido-μ₃-oxido-tri­pyridine­tetra­iron(III)–pyridine–water (1/1/0.24)

The title compounds Fe₄(C₇H₄O₃)O(C₂H₃O₂)₆(C₅H₅N)₃X where X is either Cl or F were synthesized using a self-assembly reaction in methanol and pyridine with stoicometric addition of salicyl­hydroxamic acid (H₃shi), acetic acid (HOAc), and the appropriate ferric halide salt. The compound is remeniscent of hydroximate binding in metallacrown structures.

Synthesis and structure determination of racemic (Δ/Λ)-tris­(ethyl­enedi­amine)­cobalt(III) trichloride hemi(hexa­aqua­sodium chloride)

In the racemic title compound, the [Co(en)₃]³⁺ and [Na(H₂O)₆]⁺cations exist in distorted octa­hedral coordination environments and charge neutrality in the salt is furnished by Cl⁻ anions. Structural cohesion is maintained by an array of C—H⋯O, N—H⋯Cl and O—H⋯Cl hydrogen bonds.

Crystal structure of the new palladium complexes tetra­kis­(1,3-di­methyl­imidazolium-2-yl­idene)palladium(II) hexa­deca­carbonyl­tetra­rhenium di­ethyl ether disolvate and octa-μ-carbonyl-di­carbonyl­tetra­kis­(tri­phenyl­phosphane)palladium­dirhenium (unknown solvate)

The investigation of the coordination chemistry of heterometallic transition-metal complexes of palladium (Pd) and rhenium (Re) led to the isolation and crystallographic characterization of tetra­kis­(1,3-di­methyl­imidazolium-2-yl­idene)palladium(II) hexa­deca­carbonyl­tetra­rhenium diethyl ether disolvate, [Pd(C₅H₈N₂)₄][Re₄(CO)₁₆]·2C₄H₁₀O or [Pd(IMe)₄][Re₄(CO)₁₆]·2C₄H₁₀O, (1), and di­carbonyl­octa-μ-carbonyl-tetra­kis­(tri­phenyl­phosphane)palladiumdirhenium, [Pd₄Re₂(C₁₈H₁₅P)₄(CO)₁₀] or Pd₄Re₂(PPh₃)₄(μ-CO)₈(CO)₂, (2), from the reaction of Pd(PPh₃)₄ with 1,3-di­methyl­imidazolium-2-carboxyl­ate and Re₂(CO)₁₀ in a toluene–aceto­nitrile mixture.

Polymeric coordination complex of lithium(I) with aqua and cyanurate ligands

The polymer contains Li⁺ cations coordinated via oxygen to two cyanuranate anions and three water mol­ecules in a trigonal–bipyramidal geometry and to three water mol­ecules and an oxygen from the cyanuric anion in a tetra­hedral geometry. A three-dimensional network of hydrogen bonds serves to hold the structure together.

X-ray crystal structure of [L₂Ag₃]⁺[OTf]⁻·5C₆D₆: a monoanionic bis­phosphinimine ligand supported tris­ilver complex

A tris­ilver complex stabilized by two monoanionic bis­phosphinimine ligands is reported. Noteworthy asymmetry at the cluster core is observed. This is the first example of a tris­ilver complex supported by monoanionic bis­phosphinimine ligands.

Crystal structure of 9,9-di­ethyl-9H-fluorene-2,4,7-tricarbaldehyde

The fluorene skeleton of the title mol­ecule is nearly planar and the crystal structure is composed of mol­ecular layers extending parallel to the 302 plane. A Hirshfeld surface analysis indicated that the most important contributions to the overall surface are from H⋯H, O⋯H and C⋯H inter­actions.

Crystal structure of hexa­kis­(N,N-di­methyl­form­amide-κO)iron(III) μ-chlorido-bis­(tri­chlorido­cadmium)

Octa­hedral [Fe(DMF)₆]³⁺ and tetra­hedral-based [Cd₂Cl₇]³⁻ ions stack alternately along the c-axis direction in this rare example of a [Fe(DMF)₆]³⁺-containing ionic salt.

Crystal structure, Hirshfeld surface analysis and density functional theory study of 1-nonyl-3-phenyl­quinoxalin-2-one

The phenyl-quinoxaline moiety in the title compound is not planar. In the crystal, C—H⋯O hydrogen bonds between neighboring quinoxaline rings form chains along the a axis direction.

Synthesis, crystal structure and Hirshfeld surface analysis of 5-cyclo­propyl-N-(2-hy­droxy­eth­yl)-1-(4-methyl­phen­yl)-1H-1,2,3-triazole-4-carboxamide

The title compound was obtained via a two-step synthesis (Dimroth reaction and amidation) for anti­cancer activity screening and was selected from a 1H-1,2,3-triazole-4-carboxamide library. The cyclo­propyl ring is oriented almost perpendicular to the benzene ring [dihedral angle = 87.9 (1)°], while the dihedral angle between the mean plane of the cyclo­propyl ring and that of the triazole ring is 55.6 (1)°. In the crystal, the mol­ecules are linked by O—H⋯O and C—H⋯N inter­actions into infinite ribbons propagating in the [001] direction, which are inter­connected by weak C—H⋯O inter­actions into layers.

Crystal structure and Hirshfeld surface analysis of 2,2,2-tri­chloro-N,N-bis­{[(1RS,4SR)-1,4-di­hydro-1,4-ep­oxy­naphthalen-1-yl]meth­yl}acetamide

In the crystal, mol­ecules are linked by C—H⋯O hydrogen bonds, forming layers parallel to the (001) plane. These layers of mol­ecules are connected by C—H⋯π inter­actions along the c-axis direction. Inter­layer van der Waals and inter­halogen inter­actions stabilize the packing.

Crystal structure of 2-{[5-amino-1-(phenyl­sulfon­yl)-1H-pyrazol-3-yl]­oxy}-1-(4-methyl­phen­yl)ethan-1-one

In this O-alkyl­ated sulfonyl­pyrazolone, the sulfur atom lies 0.558 (1) Å out of the pyrazole ring plane. The NH₂ group is involved in an intra­molecular hydrogen bond to a sulfonyl oxygen atom and in a three-centre system with the two oxygen atoms of the side chain at C3, forming a ribbon structure.

Crystal structure of caesium tetra­methyl­dithio­imidodiphosphinate

A supra­molecular two-dimensional polymer structure of caesium tetra­methyl­dithio­imidodiphosphinate is reported.