New copper carboxyl­ate pyrene dimers: synthesis, crystal structure, Hirshfeld surface analysis and electrochemical characterization

Two new copper dimers, [Cu₂(pyr-COO–)₄(DMSO)₂] (1) and [Cu₂(pyr-COO–)₄(DMF)₂] (2) (pyr = pyrene) were synthesized from the reaction of pyrene-1-carb­oxy­lic acid, copper(II) nitrate and tri­ethyl­amine from solvents DMSO and DMF, respectively. Electrochemical characterization and Hirshfeld surface analysis was carried out.

Synthesis, crystal structure and hydrogenation properties of Mg_xLi_3 − xB_48 − y (x = 1.11, y = 0.40)

The crystal structure of the new tetra­gonal boride Mg_xLi_{3 - x}B_{48 - y} (x = 1.11, x = 0.40) has been determined by the single-crystal method. This new structure type is closely related to the structural family comprising tetra­gonal β-boron, α-AlB₁₂ and Be_0.7Al_1.1B₂₂.

The synthesis and structural properties of a chlorido­bis­{N-[(4-meth­oxy­phen­yl)imino]­pyrrolidine-1-carboxamide}­zinc(II) (aceto­nitrile)­trichlorido­zincate coordination complex

The title compound was formed from the reaction of zinc(II) chloride and pyrrolidine-4-meth­oxy­phenyl azoformamide ligands. The ligands associated in a bidentate manner and the recrystallized complex indicated that the central zinc(II) gave a chloride to a second zinc(II) chloride compound and associated with an aceto­nitrile solvent to give a aceto­nitrile­tri­chlorido­zincate counter-ion.

Crystal structure and Hirshfeld surface analysis of a new benzimidazole compound, 3-{1-[(2-hy­droxyphen­yl)meth­yl]-1H-1,3-benzo­diazol-2-yl}phenol

In the title compound, the benzimidazole moiety subtends dihedral angles of 46.16 (7) and 77.45 (8)° with the benzene rings, which themselves form a dihedral angle of 54.34 (9)°. The crystal structure features O—H⋯N and O—H⋯O hydrogen-bonding inter­actions, which together lead to the formation of two-dimensional hydrogen-bonded layers parallel to the (101) plane, as well as π–π inter­actions

Crystal structure of dilithium bi­phenyl-4,4′-di­sulfonate dihydrate

The asymmetric unit of the title compound consists of an Li ion, half of the diphenyl-4,4-di­sulfonate ligand, and a water mol­ecule. The Li ion exhibits a four-coordinate tetra­hedral geometry with three oxygen atoms of the Bph(SO₃⁻)₂ ligands and a water mol­ecule. The tetra­hedral LiO₄ units, which are inter­connected by biphenyl moieties, form a layer structure parallel to (100). These layers are further connected by hydrogen-bonding inter­actions to yield a three-dimensional network.

Crystal structure of a water oxidation catalyst solvate with composition (NH₄)₂[Fe^IV(L-6H)]·3CH₃COOH (L = clathrochelate ligand)

The coordination polyhedron of the complex [Fe^IV(C₁₂H₁₂N₁₂O₆)]²⁻ or [Fe^IV(L–6H)]²⁻ anions exhibits a shape inter­mediate between trigonal-prismatic and anti­prismatic.

Crystal structure of 2-[(5-amino-1-tosyl-1H-pyrazol-3-yl)­oxy]-1-(4-meth­oxy­phen­yl)ethan-1-one 1,4-dioxane monosolvate

In the mol­ecular structure of the title compound, the pyrazole and its oxy-ethanone substituent lie parallel to each other, whereas the sulfonyl ring is roughly perpendicular to the pyrazole. The residues form a layer structure by hydrogen bonding.

Crystal structures of sixteen phosphane chalcogenide complexes of gold(I) chloride, bromide and iodide

The structures of sixteen phosphane chalcogenide complexes of gold(I) halides are presented and compared.

Crystal structure of [1,3-bis­(2,4,6-tri­methyl­phen­yl)imidazolidin-2-yl­idene]di­chlorido­(2-{[(2-meth­oxyeth­yl)(meth­yl)amino]­meth­yl}benzyl­idene)ruth­enium

The title compound [RuCl₂(C₃₃H₄₄N₃O)] is an example of a new generation of N,N-dialkyl metallocomplex ruthenium catalysts with an N→Ru coordination bond in a six-membered chelate ring.

Crystal structure and Hirshfeld-surface analysis of di­aqua­bis­(5-methyl-1H-1,2,4-triazole-3-carboxyl­ato)copper(II)

Herein, the synthesis and structure of the title compound, di­aqua­bis­(5-methyl-1H-1,2,4-triazole-3-carboxyl­ato)copper(II), which is a mononuclear complex based on 5-methyl-1H-1,2,4-triazole-3-carb­oxy­lic acid, are reported. A Hirshfeld surface analysis was also performed.

Temperature-dependent solid-state phase transition with twinning in the crystal structure of 4-meth­oxy­anilinium chloride

The room temperature (298 K) structure of the title salt has been redetermined with disordered H atoms for the –NH₃ group. Additionally, a twinned monoclinic structure has been identified with lower symmetry at low temperature (100 K) in which the H atoms of the –NH₃ groups are ordered to optimize N—H⋯Cl hydrogen bonding.

Crystal structure and Hirshfeld surface analysis of di­methyl 4-hy­droxy-5,4′-di­methyl-2′-(toluene-4-sulfonyl­amino)­biphenyl-2,3-di­carboxyl­ate

In the crystal, mol­ecules are connected by C—H⋯O and N—H⋯O hydrogen bonds, forming mol­ecular layers parallel to the (100) plane. These layers are connected to each other by C—H⋯π inter­actions.

Synthesis, crystal structure and properties of poly[(μ-2-methyl­pyridine N-oxide-κ²O:O)bis­(μ-thio­cyanato-κ²N:S)cobalt(II)]

In the crystal structure of the title compound, the cobalt cations are octa­hedrally coordinated by two N- and two S-bonding thio­cyanate anions as well as two O-bonding 2-methyl­pyridine N-oxide coligands. The cations are linked by pairs of anionic ligands into chains that are connected into layers by two μ-1,1-bridging O atoms of the 2-methyl­pyridine N-oxide coligands.

Crystal structure and Hirshfeld surface analysis of 3-benzyl-2-[bis­(1H-pyrrol-2-yl)methyl]thiophene

The asymmetric unit of the title compound contains two similar mol­ecules. In the crystal, mol­ecular pairs are bonded to each other by N—H⋯N inter­actions. N—H⋯π and C—H⋯π inter­actions further connect the mol­ecules, forming a three-dimensional network.

Crystal structure and Hirshfeld surface analysis of 2-picolyllithium·3thf

In the title compound, the lithium ion adopts a distorted LiNO₃ tetra­hedral coordination geometry and the 2-picolyl anion adopts its enamido form with the lithium ion lying close to the plane of the pyridine ring. In the crystal, a weak C—H⋯O inter­action generates inversion dimers. A Hirshfeld surface analysis shows that H⋯H contacts dominate the packing (86%) followed by O⋯H/H⋯O and C⋯H/H⋯C contacts, which contribute 3% and 10.4%, respectively.

Crystal structure and Hirshfeld surface analysis of diethyl (3aS,3a1R,4S,5S,6R,6aS,7R,9aS)-3a1,5,6,6a-tetra­hydro-1H,3H,4H,7H-3a,6:7,9a-di­epoxy­benzo[de]isochromene-4,5-di­carboxyl­ate

The crystal structure of the title compound features C—H⋯O hydrogen bonds, which link the mol­ecules into a three-dimensional network.

Crystal structures of two formamidinium hexa­fluorido­phosphate salts, one with batch-dependent disorder

The crystal structures of two nitro­gen heterocycle hexa­fluorido­phosphate salts with terminal animinium groups are described. Unexpectedly, there is cation disorder in crystals of the morpholino­formamidinium compound obtained from ethanol recrystallization, which is not found in the original crystals.