Bis(di­allyl­carbamodi­thio­ato)(quinaldine)zinc(II)

The crystal structure of the title compound, the heteroleptic complex [Zn(C₇H₁₀NS₂)₂(C₁₀H₉N)] reveals supra­molecular dimers established by π–π inter­actions between adjacent quinaldine units with a centroid–centroid distance of 3.672 (2) Å. The compound crystallizes in the triclinic crystal system, space group P1, with the Zn^II atom exhibiting a trigonal–bipyramidal geometry.

Crystal structures of 2-meth­oxy-5-nitro­aniline N-alkyl derivatives support color-center creation by a dipole-stacking mechanism

A striking color change from orange to yellow is observed in crystals of two N-alkyl derivatives of 2-meth­oxy-5-nitro­aniline. The orange compound has a sterically unencumbered 4-methyl­benzyl group and the yellow compound the more sterically demanding tri­phenyl­methyl group. The crystal structures are used to rationalize a charge-transfer color center in the former compound, which is less favorable in the latter.

Synthesis and structure of 9-(di­methyl­amino)-1,10-phenanthrolin-1-ium nitrate

In the title salt, the cation is almost planar, implying significant conjugation of the lone pair of the secondary amino group N atom with the aromatic ring system. In the extended structure, N—H⋯O and C—H⋯O hydrogen bonds link the components into infinite chains of alternating cations and anions propagating along the b-axis direction.

Synthesis, structure and energy calculations of 4-{4-[(2,3-dioxoindol-1-yl)meth­yl]-1H-1,2,3-triazol-1-yl}butyl acetate

In the title compound, almost planar isatin and triazole rings are inclined by 78.47 (5)°. The mol­ecules link into infinite chains along the b-axis direction through inter­molecular bifurcated C—H⋯O hydrogen bonds. π–π and C—H⋯π(ring) inter­actions also help to consolidate the crystal packing.

Synthesis and structure of pyridinium tri­chlorido­(pyridine-κN)zincate(II)

In the title salt, (C₅H₆N)[ZnCl₃(C₅H₅N)], pyridine acts as a protonated counter-ion and a ligand in the com­plex anion.

Structure of tetra­kis­(penta­fluoro­phenoxido)bis­(tetra­hydro­furan)­titanium(IV)

The crystal structure of the tetra­kis­(penta­fluoro­phen­oxy)bis­(tetra­hydro­furan)­titanium(IV) com­plex is described, in which the titanium(IV) ion adopts a distorted octa­hedral coordination geometry. The coordinated tetra­hydro­furan ligands adopt a cis configuration.

Synthesis and crystal structure of 2-amino-4-(3-iso­butyl-1-phenyl-1H-pyrazol-4-yl)-7,7-di­methyl-5-oxo-5,6,7,8-tetra­hydro-4H-chromene-3-carbo­nitrile

The two independent mol­ecules of the title chromenecarbo­nitrile are related by approximate translation but differ in the orientation of the phenyl substituent. They are connected by classical N—H⋯N_pyrazole hy­dro­gen bonds to form a ribbon. The ribbons are joined by ‘weak' C_pyrazole—H⋯N_nitrile hy­dro­gen bonds to form a layer structure.

The adduct of di-μ₂-hydroxido-bis­[chlorido­di­phenyl­tin(IV)] with two mol­ecules of 2-vinyl­pyridine

Single crystals of [Ph₂Sn(OH)Cl·²Vipy]₂ obtained as side product during the reaction of di­phenyl­tin(IV) dichloride with 2-vinyl­pyridine, ²Vipy, have been structurally characterized by X-ray diffraction with respect to the influence of the adduct's non-centrosymmetry on bond lengths and angles.

Synthesis, crystal structure and Hirshfeld surface analysis of 1-(3,4-di­chloro­phen­yl)-4,4,6-tri­methyl-3,4-di­hydro­pyrimidine-2(1H)-thione

The title compound consists of di­chloro­phenyl and di­hydro­pyrimidine­thione rings, where the pyrimidine ring is in flattened-boat conformation. In the crystal, N—H⋯S hydrogen bonds link the mol­ecules, enclosing R²₂(8) ring motifs, into centrosymmetric dimers.

Synthesis and crystal structure of NaRbB₅O₈(OH)·H₂O

In the title compound, the penta­borate [B₅O₁₀(OH)]⁶⁻ building units are inter­connected to form a two-dimensional layered structure, adjacent single layers are further linked into double layers via O—H⋯O hydrogen bonds.

Three crystal structures of the (4-bromo­benz­yl)tri­phenyl­phospho­nium cation with perchlorate, tetra­fluoro­borate and triiodide anions

The crystal structures of three (4-bromo­benz­yl)tri­phenyl­phospho­nium salts with perchlorate, tetra­fluoro­borate and triiodide anions are reported and compared using Hirshfeld surface analysis.

Synthesis, crystal structure and thermal reactivity of di­aqua­dithio­cyanato­bis­(pyridine-4-carbo­nitrile)cobalt(II)

In the crystal structure of the title compound, the cobalt cations are octa­hedrally coordinated by two terminal N-bonding thio­cyanate anions, two 4-cyano­pyridine ligands and two water mol­ecules into discrete complexes that are linked by inter­molecular O—H⋯S hydrogen bonding into layers that condense into a three-dimensional hydrogen bonded network by weak inter­molecular C—H⋯N inter­actions.

Synthesis and crystal structure of poly[μ-2,6-di­methyl­pyrazine-μ₃-iodido-μ₂-iodido-dicopper(I)] with an unusual CuI substructure

In the crystal structure of the title compound, two different CuI substructures are observed, which condense into layers by way of bridging 2,6-di­methyl­pyrazine ligands.

Syntheses, crystal structure and thermal behavior of poly[di-μ-bromido-μ-2,3-di­methyl­pyrazine-κ²N¹:N⁴-cadmium(II)]

In the crystal structure of the title compound, the cadmium cations are linked by pairs of μ-1,1 bridging bromide anions into chains that are further connected into layers by the bridging 2,3-di­methyl­pyrazine coligands.

Synthesis, crystal structure and stability of a new isomer of bis­(ethyl­ene­thio­urea)di­thio­cyanatocobalt(II)

The title compound is a new isomer of Co(NCS)₂(C₃H₆N₂S)₂. The cobalt cations are tetra­hedrally coordinated by two N-bonding thio­cyanate anions and two ethyl­ene­thio­urea ligands into discrete complexes. Solvent-mediated conversion experiments prove that the new isomer is thermodynamically stable at room temperature, whereas the known triclinic isomer with an octa­hedral cobalt coordination and a chain structure is metastable.

Crystal structure, Hirshfeld surface analysis and DFT study of 2-(2-iso­propyl-5-methyl­cyclo­hex­yl­oxy)-2-oxo­ethyl benzoate

The packing in the crystal structure of the title compound is mainly consolidated by a weak C—H⋯O contact linking mol­ecules into chains parallel to [100] and van der Waals inter­actions.

Synthesis and structure of 4-(benz­yloxy)phenyl 3,5-di­methyl­benzoate

In the title compound, the dihedral angles between the central and peripheral aromatic rings are 83.47 (2) and 66.00 (2)° and the packing is consolidated by C—H⋯π inter­actions.

Structural characterization of three norfloxacin salts with N-heterocyclic mono- and di­carb­oxy­lic acids

Three new mol­ecular salts of norfloxacin with N-heterocyclic carboxyl­ates exhibit distinct hydrogen-bonding patterns and π-stacking arrangements, giving rise to different supra­molecular architectures.

Isomorphous dinuclear copper(I) complexes bridged by 4-methyl-1H-1,2,4-triazole-5-thiol­ate ligands: chloride and bromide analogues

The title bimetallic complexes are isostructural and feature centrosymmetric rhombic Cu₂S₂ cores.

A model for crystallography engagement with children in early elementary school with activities and book development

Introducing crystallography at the kindergarten level is discussed through a center-based activity framework and the development of a children's book for crystallography.