Crystal structure refinement of magnesium zinc divanadate, MgZnV₂O₇, from powder X-ray diffraction data

The crystal structure of magnesium zinc divanadate can be described by an alternate stacking of V₂O₇ layers and (Mg/Zn) atom layers. Each V₂O₇ layer consists of a V₂O₇ dimer and a V₄O₁₄ tetra­mer.

Crystal structure of potassium tri­ethyl­hydridoborate (`superhydride')

The structure of KHBEt₃ is polymeric, involving chains linked by K—H—K motifs via the hydridic hydrogen.

Crystal structure and Hirshfeld surface analysis of N-[(Z)-(2-hy­droxy­phen­yl)methyl­idene]aniline N-oxide

The conformation of the title compound is partially determined by a strong, intra­molecular O—H⋯O hydrogen bond. In the crystal, C—H⋯O hydrogen bonds link the mol­ecules, forming chains along the a-axis direction, which are linked into strongly corrugated sheets parallel to the ac plane by C—H⋯O hydrogen bonds and C—H⋯π(ring) inter­actions. The sheets are associated through additional C—H⋯π(ring) inter­actions.

Crystal structure and Hirshfeld surface analysis of 5,7-di­phenyl-1,2,3,5,6,7-hexa­hydro­imidazo[1,2-a]pyridine-6,6,8-tricarbo­nitrile methanol mono­solvate

In the crystal, O—H⋯N and N—H⋯O hydrogen bonds link pairs of mol­ecules via two methanol mol­ecules. These mol­ecules are connected to each other by C—H⋯N hydrogen bonds and form columns along the a-axis direction.

Crystal structure of 4-(anthracen-9-yl)pyridine

The title compound, which crystallizes in the monoclinic C2/c space group with one half-mol­ecule in the asymmetric unit, was synthesized by Suzuki–Miyaura cross-coupling reaction of 9-bromo­anthracen-2-ylium with pyridin-4-ylboronic acid.

Crystal structure of potassium hydrogen bis­((E)-2-{4-[3-(thio­phen-3-yl)acrylo­yl]phen­oxy}acetate)

The title compound, C₃₀H₂₃KO₈S₂, contains one mol­ecule of (E)-2-{4-[3-(thio­phen-3-yl)acrylo­yl]phen­oxy}acetic acid and one mol­ecule of its potassium salt in the asymmetric unit. The distorted KO₆ octa­hedra share edges, resulting in chains running in the [010] direction.

Crystal structure of ethyl 2-(3-amino-5-oxo-2-tosyl-2,5-di­hydro-1H-pyrazol-1-yl)acetate

The N-substituents lie on opposite sides of the pyrazole ring. Inter­molecular hydrogen bonds from the amino group to an S=O group and to the oxo substituent lead to a layer structure.

Synthesis and crystal structures of N-H, N-phenyl and N-benzyl-2-(4-hexyl­oxyphen­yl)benzimidazoles

N-H, N-phenyl and N-benzyl-2-(4-hexyl­oxyphen­yl)benzimidazoles were prepared and studied by ¹H NMR and single-crystal X-ray analysis. The unsubstituted benzimidazole forms inter­molecular N—H⋯N bonds while in the crystal structures of the other two compounds, the mol­ecules are assembled only through π–π and C—H⋯π inter­actions.

Synthesis and crystal structures of 3,6-di­hydroxy­picolinic acid and its labile inter­mediate dipotassium 3-hy­droxy-6-(sulfonato­oxy)pyridine-2-carboxyl­ate monohydrate

A two-step synthesis of 3,6-di­hydroxy­picolinic acid, its crystal structure and that of a labile inter­mediate, are described.

Crystal structure and Hirshfeld surface analysis of bis­(6,7,8,9-tetra­hydro-11H-pyrido[2,1-b]quinazolin-5-ium) tetra­chlorido­zincate

N—H⋯Cl hydrogen bonds link two di­hydro­quinazolinium cations and a tetra­chlorido zincate dianion into discrete aggregates. Neighbouring (C₁₂H₁₅N₂)₂[ZnCl₄] units inter­act via non-classical C—H⋯π hydrogen bonds and π–π stacking.

Ba₅(IO₆)₂: crystal structure evolution from room temperature to 80 K

The structure of Ba₅(IO₆)₂ has been redetermined at two different temperatures, namely 298 and 80 K, with a high crystalline single-crystal. In comparison with previous determinations based on powder diffraction patterns, the present redetermination results are of greatly improved precision of the structural parameters. The ambiguity of the space-group assignment was eliminated with three-dimensional patterns from a single-crystal sample.

Crystal structure, Hirshfeld surface analysis and DFT study of N-(2-amino-5-methyl­phen­yl)-2-(5-methyl-1H-pyrazol-3-yl)acetamide

The title mol­ecule adopts an angular conformation. In the crystal, N—H⋯O and N—H⋯N hydrogen bonds together with C—H⋯π(ring) inter­actions form chains extending along the a-axis direction. Additional N—H⋯O hydrogen bonds link the chains into layers parallel to (100).

Crystal structure and Hirshfeld surface analysis of 2-(2-oxo-3-phenyl-1,2,3,8a-tetra­hydro­quinoxalin-1-yl)ethyl acetate

The di­hydro­quinoxaline moiety, with the exception of the N atom, is essentially planar with the attached phenyl ring inclined to it by 11.64 (6)° and the inner part of the methyl­propano­ate group nearly perpendicular to it. In the crystal, inversion dimers formed by C—H⋯O hydrogen bonds are connected into oblique stacks by π-stacking and C—H⋯π(ring) inter­actions.

μ-Methyl­ene-bis­[di­bromido(di­ethyl ether-κO)aluminium(III)]: crystal structure and chemical exchange in solution

The crystal structure of μ-methyl­ene-bis­[(di­bromo)(diethyl ether-κO)aluminium(III)] has established that the Al—CH₂—Al angle, 118.4 (2)°, is the smallest observed for structure where this moiety is not part of a ring.

Crystal structure and photoreactive behaviour of N,N-diisoprop­yl(p-phenyl­phen­yl)glyoxyl­amide

The photoreactive behaviour of the title compound, C₂₀H₂₃NO₂, was investigated. Solid-state photoreaction did not occur in the solid-state but it occurred in aceto­nitrile solution.

Crystal structure and mol­ecular docking study of (E)-2-{[(E)-2-hy­droxy-5-methyl­benzyl­idene]hydrazinyl­idene}-1,2-di­phenyl­ethan-1-one

The title compound, C₂₂H₁₈N₂O₂, is a Schiff base that exists in the phenol–imine tautomeric form and adopts an E configuration. The mol­ecular structure is stabilized by an O—H⋯N hydrogen bond, forming an S(6) ring motif.

Crystal structure and Hirshfeld surface analysis of 2-{[7-acetyl-4-cyano-6-hy­droxy-8-(4-meth­oxy­phen­yl)-1,6-di­methyl-5,6,7,8-tetra­hydro­iso­quino­lin-3-yl]sulfan­yl}-N-phenyl­acetamide

The title mol­ecule adopts a conformation with the two phenyl substituents disposed on opposite sides of the mean plane of the iso­quinoline unit. In the crystal, corrugated layers of mol­ecules are formed by N—H⋯O, C—H⋯N and C—H⋯S hydrogen bonds together with C—H⋯π(ring) inter­actions. These layers are connected by C—H⋯O contacts.

Tetra­kis[μ₂-1,1,1,3,3,3-hexa­fluoro-2-(tri­fluoro­meth­yl)propan-2-olato]tetra­kis­(μ₃-2-methyl­propan-2-olato)octa­copper(I)

The structure of the title ocyacopper cluster contains two C₁₆H₁₈Cu₄F₁₈O₄ units linked through a center of inversion by weak Cu—O bonds.

Crystal structure and Hirshfeld surface analysis of 1-[(E)-2-(5-chloro-2-hy­droxy­phen­yl)hydrazin-1-yl­idene]naphthalen-2(1H)-one

The mol­ecular structure of the newly synthesized dye (E)-1-[2-(5-chloro-2-hy­droxy­phen­yl)hydrazinyl­idene]naphthalen-2(1H)-one was determined by X-ray diffraction at 173 K. The asymmetric unit of the title contains two crystallographically independent mol­ecules, which adopt an s-trans conformation.

Crystal structure of di­aqua­(3,14-di­ethyl-2,6,13,17-tetra­aza­tri­cyclo­[16.4.0.0^7,12]docosa­ne)copper(II) (3,14-di­ethyl-2,6,13,17-tetra­aza­tri­cyclo[16.4.0.0^7,12]docosa­ne)copper(II) tetra­bromide dihydrate, [Cu(C₂₂H₄₄N₄)(H₂O)₂][Cu(C₂₂H₄₄N₄)]Br₄·2H₂O

In the title complex, [Cu(C₂₂H₄₄N₄)(H₂O)₂][Cu(C₂₂H₄₄N₄)]Br₄·2H₂O, each of the two complex cations lies about an inversion center. The two macrocyclic rings adopt the most stable trans-III configuration. In the crystal, O—H⋯Br, N—H⋯Br, N—H⋯O and C—H⋯O hydrogen bonds connect the complex cations, bromide anions, semi-coordinating H₂O ligands and water solvent mol­ecules, forming a one-dimensional network extending parallel [100].