Synthesis and structure of 4-bromo-2-chloro­phenyl 4′-meth­oxy-[1,1′-biphen­yl]-4-carboxyl­ate featuring short halogen⋯oxygen contacts

The extended structure features short halogen⋯oxygen contacts [Cl⋯O = 2.991 (3), Br⋯O = 3.139 (2) Å], forming mol­ecular sheets lying parallel to (101).

Orthosilicates with glaserite-type crystal structures: Na₂BaZr[SiO₄]₂ and Na₂BaHf[SiO₄]₂

The two title oxides are new isotypic silicates, crystallizing in the non-centrosymmetric space group P3. The crystal structures were analysed with two twin components in each case.

Synthesis and crystal structure study of (R,R)-TMCDA ethanol derivatives doubly protonated with FeCl₄⁻ and Cl⁻ as counter-ions

The synthesis and structural characterization of the crystal forms of (R,R)-TMCDA and its ethanol derivative, both doubly protonated with FeCl₄⁻ and Cl⁻ as counter-ions, are reported. A notable feature across both synthesized compounds is the presence of N—H⋯Cl hydrogen bonds of moderate strength in the solid state. In the case of the ethanol derivative of (R,R)-TMCDA, the structure also reveals the formation of inter­molecular O–H⋯Cl hydrogen bonds.

An Ni-based coordination polymer with a bamboo-like crystal structure

An Ni-based coordination polymer with a crystal structure reminiscent of bamboo has been synthesized, the Ni²⁺ ions exhibiting a slightly distorted octa­hedral coordination geometry with N atoms and O atoms.

Synthesis and crystal structure of 2-(2,4-dioxo-6-methyl­pyran-3-yl­idene)-4-(4-hy­droxy­phen­yl)-2,3,4,5-tetra­hydro-1H-1,5-benzodiazepine

In the crystal, O—H⋯O and N—H⋯O hydrogen bonds link the mol­ecules, enclosing R₂²(16) and R₂²(24) ring motifs, to generate [110] chains. Very weak π–π stacking inter­actions between the phenyl rings of adjacent mol­ecules help to consolidate a three-dimensional architecture.

Crystal structure and Hirshfeld surface analysis of the fungicide metconazole

The crystal structure of [(1S,5R)/(1R,5S)]-cis-metconazole at 100 K is presented along with a Hirshfeld surface analysis com­paring the similarities of the atom–atom contacts involving the two independent mol­ecules in the asymmetric unit.

Crystal structure, Hirshfeld surface analysis and DFT studies of 4-amino-N′-[(1E)-1-(3-hy­droxyphen­yl)ethyl­idene]benzohydrazide

In the crystal structure of the title compound, C₁₅H₁₅N₃O₂, O—H⋯O and N—H⋯O hydrogen bonds lead to the formation of layers extending parallel to (010).

Di-μ₃-chlorido-1:2:3κ³Cl;2:3:4κ³Cl-di-μ₂-chlorido-1:2κ²Cl;3:4κ²Cl-tetra­kis­[(4-amino-1,5-di­methyl-2-phenyl-2,3-di­hydro-1H-pyrazol-3-one-κ²N⁴,O)chlorido­cadmium(II)] 1.7-hydrate: a new six-coordinate geometry index, τ₆

A new tetra­nuclear cadmium(II) com­plex of 4-amino­anti­pyrine and chloride ions was synthesized using methanol as solvent. The com­plex possesses inversion symmetry with two independent Cd²⁺ ions that have different coordination spheres, one fivefold and the other sixfold. A new geometry index, τ₆, is propossed to qu­anti­tatively describe the geometry of a sixfold coordinated atom.

Crystal structure of bis­(diiso­propyl­amino)­fluoro­borane

Bis(diiso­propyl­amino)­fluoro­borane was previously identified as a product of reactions of (diiso­propyl­amino)­difluoro­boranes in the presence of Na/K alloy, but its structure was never elucidated. The structure reported here will contribute to the understanding of the basic binding situation and properties, and will provide a more com­plete picture when com­pared with analogous structures.

Synthesis and crystal structure analysis of substituted bi­cyclo­[3.3.1]nona­nones

A set of novel bi­cyclo­[3.3.1]nona­nones were synthesized and structurally elucidated by NMR, HRMS and X-ray crystallography.