New ternary boride MgNiB₄: structural and hydriding properties

The crystal structure of the new orthrhombic ternary boride MgNiB₄ has been determined by the single-crystal method. The MgNiB₄ structure type represents the structure family based on AlB₂ and YCrB₄.

Investigation into the third-order nonlinear optical properties of a three-dimensional cobalt(II) coordination polymer constructed from naphthalene-1,4-di­carb­oxy­lic acid and 4,4′-({2,2-bis­[(pyridin-4-yl­oxy)meth­yl]propane-1,3-di­yl}bis­(­oxy))di­pyridine

The title three-dimensional cobalt(II) coordination polymer features a three-dimensional architecture and exhibits a significant third-order nonlinear optical absorption effect.

Synthesis and crystal structures of a family of bimetallic com­plexes with phenyl-substituted bridging tetra­oxo­lene ligands

The rich redox chemistry of tetra­oxo­lene ligands is harnessed to synthesize a family of bimetallic com­plexes with phenyl-substituted bridging tetra­oxo­lene and terminal tris­[(pyridin-2-yl)meth­yl]amine ligands.

Exploration of the structure and inter­actions of 4-(di­methyl­amino)-3-methyl­phenyl N-methyl­car­bam­ate (Aminocarb)

Aminocarb, a synthetic pesticide, was crystallized and characterized by single-crystal and powder X-ray diffraction. The structural stability and intermolecular interactions were investigated using differential scanning calorimetry (DSC) and density functional theory (DFT). The results show that the compound is chemically stable, and the two dominating interactions are electrostatic and dispersion energies.

Synthesis, crystal structure, Hirshfeld surface analysis and experimental and theoretical study of new azo com­pound methyl 2-{2-[(E)-2-oxo-1,2-di­hydro­naphthalen-1-yl­idene]hydrazin-1-yl}benzoate

The crystal structure of the new azo com­pound methyl 2-{2-[(E)-2-oxo-1,2-di­hydro­naphthalen-1-yl­idene]hydrazin-1-yl}benzoate was determined by X-ray diffraction at 173 K. The asymmetric unit is repre­sent­ed in its hydrazoic form. The determined structure has a naphthone and a hydrazinylidene group and adopts an E conformation with respect to the hydrazo group. Each mol­ecule has an intra­molecular N—H⋯O hy­dro­gen bond in the crystal.

Ca(BF₄)₂·xH₂O redefined from powder diffraction as hy­dro­gen-bonded Ca(H₂O)₄(BF₄)₂ ribbons

The crystal structure of Ca(BF₄)₂·xH₂O has been solved ab initio and refined from laboratory powder diffraction data. The water mol­ecules all belong to [CaO₄F₄] square anti­prisms sharing F corners with [BF₄] tetra­hedra, forming a mono-dimensional structure of infinite ribbons inter­connected by H⋯F and H⋯O hy­dro­gen bonds.

NaAl(SO₄)F₂: a single-layer two-dimensional perovskite

The crystal structure of a new 2D perovskite (n = 1), NaAl(SO₄)F₂, has been solved ab initio and refined from laboratory powder diffraction data.

High-pressure crystal structure of n-hexyl­amine

The high-pressure crystal structure of n-hexyl­amine remains isostructural with its low-tem­per­a­ture phase. The com­pressibility of the N—H⋯N hy­dro­gen bonds has been analyzed in relation to the shortest C—H⋯N and H⋯H inter­molecular distances.

Topological structural diversification of zinc coordination polymers caused by the spacers of different di­car­boxyl­ates

Hydro­thermal self-assembly between Zn(NO₃)₂·6H₂O and trans-1,2-bis­(pyridin-3-yl)ethyl­ene with two similar di­carb­oxy­lic acids affords two different Zn^II coordination polymers. These coordination polymers exhibit 3D and 2D networks with distinct topologies.

Synthesis and structure analysis of a cobalt(III) coordination com­pound obtained from a redox-active phenolate ligand and cobalt(II)

Synthesis and crystal structure of (E)-3-tert-butyl-N-[(2-nitro­phen­yl)methyl­idene]-1-phenyl-1H-pyrazol-5-amine: a coplanar Schiff base with enhanced π-stacking inter­actions

The crystal structure of a coplanar Schiff base, synthesized via solventless maceration, was determined using X-ray diffraction and analyzed with Hirshfeld surface and QTAIM-C calculations to elucidate inter­molecular inter­actions.