The structures of 1:1 and 1:2 adducts of phosphane­tricarbo­nitrile with 1,4-di­aza­bicyclo[2.2.2]octa­ne

The structures of 1:1 and 1:2 adducts of phosphanetricarbo­nitrile with 1,4-di­aza­bicyclo­[2.2.2]octane are reported.

Crystal structure of a Tb^III–Cu^II glycine­hydroxamate 15-metallacrown-5 sulfate complex

The metallamacrocyclic core of the discrete hexa­nuclear 15-metallacrown-5 complex [TbCu₅(GlyHA)₅(H₂O)_6.5(SO₄)]₂(SO₄)·6H₂O contains five copper(II) ions linked by five glycine­hydroxamate (GlyHA^2–) dianions with a square-anti­prismatically octa­coordinate terbium(III) ion in the centre. The positive charge of the 15-metallacrown-5 [TbCu₅(GlyHA)₅]³⁺ core is compensated by bidentate and non-coordinated sulfate anions.

Crystal structures and Hirshfeld analysis of 4,6-di­bromo­indole­nine and its quaternized salt

In the crystal, mol­ecules of 4,6-di­bromo­indole­nine are linked by C—Br⋯π halogen bonds, forming zigzag chains propagating in the [001] direction. The mol­ecules of the salt form layers parallel to the (010) plane where they are linked by C—H⋯Br hydrogen bonds C—Br⋯Br and C—Br⋯I halogen bonds.

N-tert-Butyl-2-{2-[2-(4-chloro­phen­yl)-4-hy­droxy-1-(5-methyl­isoxazol-3-yl)-5-oxo-2,5-di­hydro-1H-pyrrol-3-yl]-N-(4-meth­oxy­phen­yl)acetamido}-2-(4-meth­oxy­phen­yl)acetamide methanol monosolvate: single-crystal X-ray diffraction study and Hirshfeld surface analysis

The mol­ecular and crystal structures of the title compound, C₃₇H₄₁ClN₄O₈, which has potential biological activity have been studied. This compound exists in the crystal phase as a methanol solvate.

Structural features of the oxidonitridophosphates K₃M^III(PO₃)₃N (M^III = Al, Ga)

Cubic K₃M^III(PO₃)₃N (M^III = Al, Ga) is isostructural with (M^III = Al, V, Ti). In the potassium compounds, the (PO₃)₃N^6– anion coordinates in a tetra­dentate manner to two potassium cations.

Salts of 4-[(benzyl­amino)­carbon­yl]-1-methyl­pyridinium and iodide anions with different cation:iodine stoichiometric ratios

The ability of 4-[(benzyl­amino)­carbon­yl]-1-methyl­pyridinium to form iodide salts with cation:iodine ratio different from equimolar was studied and a Hirshfeld surface analysis was performed to investigate the inter­molecular inter­actions.

Synthesis, crystal structure and photophysical properties of bis­[2,6-di­fluoro-3-(pyridin-2-yl)pyridine-κN](tri­fluoro­methane­sulfonato-κO)silver(I)

The Ag^I atom in the title compound, which exhibits strong blue emission, adopts a highly distorted trigonal–planar geometry coordinated by two pyridine N atoms of two crystallographically independent 2′,6′-di­fluoro-2,3′-bi­pyridine ligands and one O atom of the tri­fluoro­metane­sulfonate anion.

Tris[tri­phenyl­anti­mony(V)]hexa(μ-oxido)­tellurium(VI): a mol­ecular complex with six Te—O—Sb bridges

The structure of (C₁₈H₁₅Sb)₃TeO₆, contains a [TeO₆] octa­hedral unit linked to three trigonal–bipyramidal [SbC₃O₂] units via pairs of bridging O atoms to form a discrete mol­ecular unit. The packing of the units is dominated by C—H⋯O hydrogen bonding and weak dispersion forces, with a minor contribution from C—H⋯π bonds and π–π stacking inter­actions.

Crystal structure of (+)-(1S,5S,6S,7S,10S,11S,16S)-16-hy­droxy-7-(meth­oxy­meth­oxy)-11,15,18,18-tetra­methyl-3,13-dioxo-2,4-dioxa­tetra­cyclo[12.3.1.0^1,5.0^6,11]octa­dec-14-en-10-yl benzoate

In the title compound, ring conformations in the tetra­cyclic system are twist, chair, half-chair and boat-chair forms. In the crystal, the inter­molecular O—H⋯O hydrogen bonds connect the mol­ecules into a helical chain, and the inter­molecular C—H⋯O inter­actions link the chains into a three-dimensional architecture.

Crystal structure of chain silicate Cs₃LuSi₃O₉

Caesium lutetium(III) silicate, Cs₃LuSi₃O₉, is a sechser single-chain silicate in which [Si₆O₁₈]¹²⁻ chains are linked together via octa­hedrally coordinated Lu³⁺ ions, generating a three-dimensional framework structure. Cs⁺ ions reside in the voids in the framework.

Two metal–organic frameworks based on Sr²⁺ and 1,2,4,5-tetra­kis­(4-carb­oxy­phen­yl)benzene linkers

Two structurally different metal–organic frameworks based on Sr²⁺ ions and 1,2,4,5-tetra­kis­(4-carb­oxy­phen­yl)benzene linkers have been synthesized solvothermally in different solvent systems, viz. poly[[μ₁₂-4,4′,4′′,4′′′-(benzene-1,2,4,5-tetra­yl)tetra­benzoato](di­methyl­formamide)­distrontium(II)], [Sr₂(C₃₄H₁₈O₈)(C₃H₇NO)₂]_n, and poly[tetra­aqua­[μ₂-4,5-bis­(4-carb­oxy­phen­yl)-4,4′-(benzene-1,2-di­yl)dibenzoato]tris­trontium(II)], [Sr₃(C₃₄H₂₀O₈)₂(H₂O)₄]. The differences are noted between the crystal structures and coordination modes of these two MOFs, which are responsible for their semiconductor properties, where structural control over the bandgap is desirable.

Crystal structures of the gold NHC complex bis­(4-bromo-1,3-di­ethyl­imidazol-2-yl­idene)gold(I) iodide and its 1:1 adduct with trans-bis­(4-bromo-1,3-di­ethyl-imidazol-2-yl­idene)di­iodido­gold(III) iodide

In the first title compound, [Au(C₇H₁₁BrN₂)₂]I, the cations and anions form chains via halogen bond linkages Br⋯I⋯Br. The second title compound, [Au(C₇H₁₁BrN₂)₂][AuI₂(C₇H₁₁BrN₂)₂]I₂, forms a layer structure involving Br⋯I⋯Br and I⋯I⋯Au linkages.

Synthesis and crystal structure of bis­[μ-N,N-bis­(2-amino­eth­yl)ethane-1,2-di­amine]­bis­[N,N-bis­(2-amino­eth­yl)ethane-1,2-di­amine]-μ₄-oxido-hexa-μ₃-oxido-octa-μ₂-oxido-tetra­oxido­tetra­nickel(II)hexa­tantalum(V) nona­deca­hydrate

The crystal structure of the title compound consists of discrete {[Ni₂(κ⁴-tren)(μ- κ³-tren)]₂Ta₆O₁₉} cluster mol­ecules that are linked by inter­molecular O—H⋯O and N—H⋯O hydrogen bonding into layers extending parallel to the bc plane.

Crystal structures of metallocene complexes with uranium–germanium bonds

The first structural examples of complexes with uranium–germanium bonds are presented. The two complexes both have a long U—Ge bond [distances of 3.0428 (7) and 3.0523 (7) Å.

Synthesis and crystal structure of racemic (R*,R*)-2,2′-(1,4-phenyl­ene)bis­(3-phenyl-2,3,5,6-tetra­hydro-4H-1,3-thia­zin-4-one)

The synthesis and crystal structure of the racemic title compound C₂₆H₂₄N₂O₂S₂ with two stereocenters is reported.

Crystal structure and Hirshfeld surface analysis of 2-{[(E)-(3-cyclo­butyl-1H-1,2,4-triazol-5-yl)imino]­meth­yl}phenol

2-{[(E)-(3-Cyclo­butyl-1H-1,2,4-triazol-5-yl)imino]­meth­yl}phenol was synthesized by an eco-friendly microwave-assisted method that is highly selective and efficient. In the crystal, mol­ecules are linked by N—H⋯N and C—H⋯O hydrogen bonds.

A bis-chelate o-vanillin-2-ethano­lamine copper(II) complex bearing both imine and amine forms of the ligand

The copper(II) atom in the mol­ecular title complex has a distorted square-pyramidal coordination environment by three O and two N atoms from a bidentate and a tridentate ligand.

Single crystals of SnTe₃O₈ in the millimetre range grown by chemical vapor transport reactions

SnTe₃O₈ crystallizes isotypically with other members of the series M^IVTe^IV₃O₈ (M = Ti, Zr, Hf). It comprises [SnO₆] octa­hedra and [TeO₄] bis­phenoids as the principal structural building blocks.

Crystal structure and Hirshfeld surface analysis of 3-[2-(3,5-di­methyl­phen­yl)hydrazinyl­idene]benzo­furan-2(3H)-one

In the crystal, mol­ecules are connected by C—H⋯π and π–π stacking inter­actions, forming a layer lying parallel to the (11) plane.

Fluorenonophane chloro­benzene solvate: mol­ecular and crystal structures

The mol­ecular and crystal structures of the chloro­benzene solvate of fluorenonophane have been studied using X-ray diffraction analysis. The fluorenonophane contains two fluorenone fragments linked by two m-substituted benzene fragments. Some decrease in its macrocyclic cavity leads to a stacking inter­action between the tricyclic fluorenone fragments. In the crystal, the fluorenonophane and chloro­benzene mol­ecules are linked by weak C—H⋯π(ring) inter­actions and C—H⋯Cl hydrogen bonds.

A second solvatomorph of poly[[μ₄-N,N′-(1,3,5-oxadiazinane-3,5-di­yl)bis­(carbamoyl­methano­ato)]nickel(II)dipotassium]: crystal structure, Hirshfeld surface analysis and semi-empirical geometry optimization

The title compound is a second solvatomorph of the earlier reported compound. The complex nickel(II) anions exhibit an L-shaped geometry. The central Ni atom is in a square-planar N₂O₂ coordination arrangement. In crystal, the complex nickel(II) anions and the potassium cations form layers stacked along the a-axis direction.

Crystal structure of 1,1′-(pyridine-2,6-di­yl)bis­[N-(pyridin-2-ylmeth­yl)methanaminium] dichloride dihydrate

In the title compound,the two pyridine side arms are not coplanar, with the terminal pyridine rings subtending a dihedral angle of 26.45 (6)°. In the crystal, hydrogen bonds, inter­molecular C—H⋯Cl contacts and a weak C—H⋯O inter­action connect the mol­ecule with neighbouring chloride counter-anions and lattice water mol­ecules. The crystal packing also features by π–π inter­actions.

Mixed-metal phosphates K_1.64Na_0.36TiFe(PO₄)₃ and K_0.97Na_1.03Ti_1.26Fe_0.74(PO₄)₃ with a langbeinite framework

K_1.65Na_0.35TiFe(PO₄)₃ and K_0.97Na_1.03Ti_1.26Fe_0.74(PO₄)₃ are isotypic and crystallize in the langbeinite structure type. K⁺ and Na⁺ cations, and Ti³⁺, Ti⁴⁺ and Fe³⁺ cations, respectively, share the same sites in the crystal structure.

Crystal structure of 9-amino­acridinium chloride N,N-di­methyl­formamide monosolvate

9-Amino­acridinium chloride N,N-di­methyl­formamide monosolvate was found to crystallize in the monoclinic space group P2₁/c. The crystal structure of this compound is stabilized by N—H⋯O and N—H⋯Cl hydrogen bonds, as well as π–π stacking.

Crystal structure and Hirshfeld surface analysis of the anionic tetra­kis-complex of lanthanum(III) NMe₄LaL₄ with the CAPh-ligand dimethyl (2,2,2-tri­chloro­acet­yl)phospho­ramidate

A crystal structure of the anionic tetra­kis-complex of lanthanum(III) NMe₄LaL₄ with the CAPh-ligand dimethyl (2,2,2-tri­chloro­acet­yl)phospho­ramidate is reported and discussed.

Tautomerism troubles: proton transfer modifies the stereochemical assignments in diastereoisomeric structures of spiro­cyclic 5-methyl-2H-imidazol-4-amine dimers

Single-crystal structure analysis was required to correctly identify the mol­ecular structure and stereochemistry assignment of unexpected impurities in the preparation of a novel pharmaceutical spiro­cyclic imidazole-amine compound.

[rac-1,8-Bis(2-carbamoyleth­yl)-5,5,7,12,12,14-hexa­methyl-1,4,8,11-tetra­aza­cyclo­tetra­deca­ne]copper(II) di­acetate tetra­hydrate: crystal structure and Hirshfeld surface analysis

The metal ion of the title salt hydrate shows a 4 + 2 (N₄O₂) tetra­gonally elongated coordination geometry defined by four macrocyclic-N atoms and two weakly associated acetate-O atoms; the crystal features conventional hydrogen-bonding inter­actions.

The first coordination complex of (5R,6R,7S)-5-(furan-2-yl)-7-phenyl-4,5,6,7-tetra­hydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-amine with zinc(II) acetate-chloride

The first coordination complex with (5R,6R,7S)-5-(furan-2-yl)-7-phenyl-4,5,6,7-tetra­hydro-[1,2,4]triazolo[1,5-α]pyrimidin-6-amino as a bridged ligand coordinating two zinc atoms has been synthesized and studied.

Redetermination of the crystal structure of RhPb₂ from single-crystal X-ray diffraction data, revealing a rhodium deficiency

The unit-cell parameters and inter­atomic distances of RhPb₂ are different from those of the previous studies using powder X-ray diffraction, and Rh is found to be deficient.