Crystal structure, Hirshfeld surface and energy framework analysis of bis­{3-(benzo­furan-6-yl)-5-[6-(1H-pyrazol-1-yl)pyridin-2-yl]-1H-1,2,4-triazol-1-ido}iron(II) methanol disolvate

The title compound, [Fe(C₁₈H₁₁N₆O)₂]·2CH₃OH, crystallizes in the ortho­rhom­bic space group, with a distorted pseudo­octa­hedral Fe^II coordination sphere formed by two deprotonated tridentate 3-(benzo­furan-6-yl)-5-[6-(1H-pyrazol-1-yl)pyridin-2-yl]-4H-1,2,4-triazol ligands. In the crystal, mol­ecules stack in chains along the b-axis direction connected by weak C—H(pz)⋯π(ph) inter­actions and linked into layers by C—H⋯N/C/O inter­actions, which were qu­anti­fied by Hirshfeld surface and energy framework analysis.

Crystal structure and Hirshfeld surface analysis of 4-bromo-6-(4-chloro­phen­yl)-6,7-di­hydro-5H-furo[2,3-f]isoindol-5-one

The mol­ecule of the title compound, C₁₆H₉BrClNO₂, contains furan and phenyl rings and an almost planar iso­indole ring system, which is coplanar with the furan ring. In the crystal, C—H⋯O hydrogen bonds link the mol­ecules into a two-dimensional network. π–π stacking helps to consolidate the packing.

Synthesis, crystal structure and Hirshfeld surface analysis of 7-oxo-6-phenyl-6,7-di­hydro-5H-thieno[2,3-f]iso­indole-8-carb­oxy­lic acid

The mol­ecule of the title compound contains a planar thieno[2,3-f]iso­indole ring system and a phenyl ring. In crystal, the mol­ecules are linked through C—H⋯O hydrogen bonds, enclosing R²₂(14) ring motifs, into a three-dimensional architecture. π–π inter­actions further consolidate the crystal structure.

Crystal structure and Hirshfeld surface analysis of 1,3,3-tri­methyl-2,6-di­phenyl­piperidin-4-yl 2-phenyl­prop-2-enoate

The title compound is a multi-substituted piperidine derivative in which the piperidine ring adopts a chair conformation.

New hydrated phases of potassium orthovanadate: K₃(VO₄)(H₂O)_0.56 and K₃(VO₄)(H₂O)₄

The crystal structures of the two title hydrated phases of K₃(VO₄) consist of isolated vanadate tetra­hedra linked via K⁺ cations. The difference in water content is noticeable in the hydrogen-bonding inter­actions, which define a finite network for the 0.56-hydrate phase and an infinite network for the 4-hydrate phase.

Crystal structure of a μ-oxo vanadium(V) dimer coordinated by a salan ligand

A μ-oxo vanadium(V) dimeric complex, μ-oxido-bis­[(2,2′-{[ethane-1,2-diylbis(aza­nedi­yl)]bis­(methyl­ene)}diphenolato)oxidovanadium(V)], was synthesized and structurally characterized.

An ortho­rhom­bic polymorph of isavuconazole

The crystal structure of a new ortho­rhom­bic polymorph of pure isavuconazole has been determined and and is compared with the known monoclinic form.

A new triclinic polymorph of 6,6′-{(1E,1E′)-[(1,2-di­phenyl­ethane-1,2-di­yl)bis­(aza­neylyl­idene)]bis­(methane­ylyl­idene)}bis­(2-chloro­phenol)

The polymorphism of the title salen-type compound synthesized from racemic-(+/-)-1,2-di­phenyl­ethyl­enedi­amine and 3-chloro­salicyl­aldehyde is reported

Crystal structures of trans-di­bromido­bis­(4-picoline)gold(III) tetra­bromido­aurate(III) nitro­methane monosolvate, bis­(2-picolinium) tetra­bromido­aurate(III) bromide, and five salts of the type picolinium or lutidinium tetra­halogenidoaurate(III)

Packing patterns of the title compounds are analysed in terms of hydrogen bonds, halogen bonds, coinage bonds and halogen⋯π contacts.

Synthesis and structure of poly[(μ₃-hydrogen phosphato)(pyridine)­zinc(II)]

The title compound displays an infinite ladder structure built of alternately arranged ZnO₃N and PO₃(OH) tetra­hedra, linked O—H⋯O hydrogen bonds into supra­molecular sheets. C—H⋯O inter­actions between CH groups of the pyridine rings and phosphate groups connect the sheets into a three-dimensional framework structure.

Syntheses and structures of spontaneously resolved (2S)-2-phenyl-3-(thia­zol-2-yl)-2,3,5,6-tetra­hydro-4H-1,3-thia­zin-4-one and racemic 2-(furan-2-yl)-3-phenyl-2,3,5,6-tetra­hydro-4H-1,3-thia­zin-4-one

One of the title compounds shows spontaneous resolution during crystallization.

Crystal structure and Hirshfeld surface analysis of di­bromido­bis­({(S)-2-[1-(di­methyl­amino)­eth­yl]phen­yl}di­phenyl­silanol-κO)zinc(II)

Monodentate zwitterionic silanolate (sil) ligands in [ZnBr₂(sil)₂] coordinate to zinc(II) centres, yielding complexes with intra­molecular N—H⋯O hydrogen bonds and distorted ZnBr₂O₂ tetra­hedral environments that assemble into loosely packed two-dimensional layers stabilized by weak inter­molecular C—H⋯Br inter­actions.

Crystal structures, Hirshfeld surface analysis and inter­action energies of (Z)-2-(4-methyl­benzyl­idene)- and (Z)-2-(furfuryl­idene)-2H-benzo[b][1,4]thia­zin-3(4H)-one

The crystal structures of two new (Z)-2-aryl­methyl­idene-2H-benzo[b][1,4]thia­zin-3(4H)-ones are dominated by mutual hydrogen bonding with the assembly of dimers, which may provide a prototype for reliable supra­molecular synthons with the appropriately functionalized substrates for biomedical systems.

Syntheses and structures of two anthracene–benzoic acid derivatives as potential MOF linkers

In the title compounds, 2,2′-{[anthracene-9,10-diylbis(methyl­ene)]bis­(sulfanedi­yl)}di­benzoic acid di­methyl­acetamide tetra­solvate, C₃₀H₂₂O₄S₂·4C₄H₉NO 1 and 4,4′-{[anthracene-9,10-diylbis(methyl­ene)]bis­(­oxy)}di­benzoic acid di­methyl­formamide disolvate, C₃₀H₂₂O₆·2C₃H₇NO 2, the complete anthracene–benzoic acid mol­ecule is generated by a crystallographic centre of symmetry. The dihedral angle between the anthracene ring system and the pendant ring is 71.43 (7) in 1 and 75.27 (12)° in 2. In the extended structures of both compounds, O—H⋯O hydrogen bonds link the main mol­ecules into pairs of solvent mol­ecules to generate trimers.

Crystal structure and Hirshfeld surface analysis of 1,4-di­aza­bicyclo­[2.2.2]octane­diium bis­(tribromide)

The crystal structure of (C₆H₁₄N₂)[Br₃]₂ contains diprotonated tri­ethyl­enediaminium cations, the charge of which is com­pensated by [Br₃]⁻ anions. The crystal packing is stabilized by Br⋯Br contacts, forming two-dimensional layers, and by N—H⋯Br/C—H⋯Br inter­actions between cations and tribromide anions.

Crystal structures of the di­methyl sulfoxide solvate of 3,6-bis­(indol-3-yl)-1,4-di­methyl­piperazine-2,5-dione and of the di­methyl sulfoxide and tetra­hydro­furan solvates of 1,4-di­methyl-3,6-bis­(2-methyl­indol-3-yl)piperazine-2,5-dione

In the title solvates, the indole ring rotations (58–72°) relative to the plane of the central ring govern non-planarity. In the extended structures, N—H⋯O links form chains or sheets and disordered solvents were masked.

Crystal structure of 1-phenyl-1H-pyrazolo­[3,4-d]pyrimidin-4(5H)-one

The phenyl ring forms a dihedral angle of 34.72 (6)° with the mean plane of the pyrazolo­[3,4-d]pyrimidine ring system.

Crystal structures of the silver iodide sulfates Ag₃ISO₄ and Ag₄I₂SO₄

The two compounds Ag₃ISO₄ and Ag₄I₂SO₄, comprising Ag and I atoms and SO₄ tetra­hedra, exhibit characteristic silver arrangements, with Ag₃ISO₄ containing triangularly arranged Ag atoms in zigzag ladder chains along the a-axis direction and Ag₄I₂SO₄ featuring discrete Ag₄ clusters.

Crystal structure and Hirshfeld surface analysis of lithium chloride and lithium bromide with di­methyl ether ligands

The lithium halide dimethyl ether (DME) adducts [Li₂Cl₂(DME)₄] and [Li₂Br₂(DME)₄] form dimeric units linked into layers by CH₃⋯Cl tetrel bonds or CH₃⋯CH₃, CH₃⋯O and CH₃⋯Br contacts, illustrating the coordination ability of dimethyl ether and its role in directing supra­molecular assembly.

Crystal structure and Hirshfeld surface analysis of 3-(2-chloro-6-fluoro­phen­yl)-1,5-bis­(thio­phen-2-yl)pentane-1,5-dione

In the crystal, the mol­ecules are linked into [010] chains by C—H⋯O hydrogen bonds, creating a C(6) motif. Weak C—H⋯Cl and C—H⋯F inter­actions link these chains, forming sheets parallel to the (100) plane.

Syntheses and structures of a nitro­gen-rich pyrimidine triazole ligand and its Cu^I and Ag^I complexes

The product of an azide–alkyne Huisgen cyclo­addition between a pyridine azide and a simple alkyne was crystallized alongside the products of the corresponding complexation reactions with copper(I) iodide and silver(I) nitrate.