Syntheses and crystal structures of catena-poly[[di­iodido­zinc(II)]-μ-2,3-di­methyl­pyrazine-κ²N¹:N⁴] and aqua­(2,3-di­methyl­pyrazine-κN)di­iodidozinc(II)–2,3-di­methyl­pyrazine–water (2/1/1)

The syntheses and structures of [ZnI₂(C₆H₈N₂)]_n and [ZnI₂(C₆H₈N₂)(H₂O)]·0.5C₆H₈N₂·0.5H₂O are reported (C₆H₈N₂ = 2,3-di­methyl­pyrazine). In the first compound, the Zn²⁺ cations are connected by the 2,3-di­methyl­pyrazine ligands into helical chains, whereas in the second discrete complexes are observed that are arranged in such a way that cavities are formed, in which additional water and 2,3-di­methyl­pyrazine mol­ecules are incorporated.

Crystal structure and Hirshfeld surface analysis of the coordination compound di­aqua­[5,10,15,20-tetra­kis­(4-chloro­phen­yl)porphyrinato-κ⁴N]magnesium(II)

The mol­ecular structure and Hirshfeld surface analysis of the di­aqua­[5,10,15,20-tetra­kis­(4-chloro­phen­yl)porphyrinato-κ⁴N}magnesium(II) coordination compound with the formula [Mg(C₄₄H₂₄ClN₄O₂)(H₂O)₂] is described. The crystal structure of this new Mg^II metalloporphyrin features C—H⋯π inter­actions involving the pyrrole rings and non-conventional O—H⋯Cl hydrogen bonds between the axial aqua ligand and a nearby [Mg(TClPP)(H₂O)₂] mol­ecule.

A second ortho­rhom­bic polymorph of 4-{[(1E,2E)-3-(4-meth­oxy­phen­yl)prop-2-en-1-yl­idene]amino}-1,5-di­methyl-2-phenyl-1H-pyrazol-3(2H)-one

A second ortho­rhom­bic polymorph of the title Schiff base crystallizes in space group Pna2₁, compared to Pbca for the first polymorph. The difference in the structure of the two polymorphs resides in the orientation of the 4-meth­oxy moiety of the (4-meth­oxy­phen­yl)allyl­idene unit.

Crystal structure and Hirshfeld surface analysis of (E)-2-[(anthracen-9-yl­methyl­idene)amino]-4-nitro­aniline

The title compound contains a nitro­aniline ring and an anthracene ring system bridged over the methyl­ene amino group. In the crystal, the N—H⋯O hydrogen bonds link the mol­ecules into infinite chains along the b-axis direction. π–π stacking inter­actions between the nitro­aniline rings of adjacent mol­ecules with centroid-to-centroid distance of 3.7682 (2) Å and C—H⋯π(ring) inter­actions are also observed.

Syntheses and structures of N-(2-fluoro­phen­yl)-2-oxo-2H-chromene-3-carboxamide and N-[4-(methyl­sulfon­yl)phen­yl]-2-oxo-2H-chromene-3-carboxamide

Two 2-oxo-2H-chromene derivatives were synthesized by acid–aniline coupling reactions. These two compounds were subjected to SXRD and Hirshfeld surface analysis to explore their inter­molecular inter­actions.

Crystal structures of an azo­benzene-bridged aza-18-crown-6 cryptand and a sodium complex thereof

The single-crystal X-ray diffraction structures of an azo­benzene-bridged aza-18-crown-6 cryptand and its sodium complex are reported.

Synthesis and structure of a binuclear calcium nitrate coordination complex with bridging zwitterionic nicotinic acid

The crystal structure of [Ca₂(C₆H₅NO₂)₂(H₂O)₂(NO₃)₂] reveals an eight-coordinate distorted dodeca­hedral Ca^II center with mixed ligands. A Hirshfeld surface analysis elucidated the inter­molecular inter­actions consolidating the crystal.

Synthesis, crystal structure and Hirshfeld surface analysis of bis­(2-amino-1,3,4-thia­diazol-3-ium) di­aqua­dichlorido(propanedioato-κ²O¹,O³)manganate(II)

In the complex anion of the title salt, the central Mn^II atom adopts a distorted octa­hedral coordination environment, defined by two aqua, two chlorido, and one bidentate malonato ligand. The thia­diazole ligands are protonated and linked to the anion through various hydrogen-bonding inter­actions.

Crystal structure of tetra­kis­(imidazolium) hexa­kis­(imidazole-κN)cobalt(II) bis­(benzene-1,3,5-tri­carboxyl­ate) dihydrate

The structure of a hexa­kis­(imidazole)­cobalt(II) bis­(benzene-1,3,5-tri­carboxyl­ate) tetra­(imidazole-1-ium) dihydrate compound was determined by single-crystal X-ray diffraction.

Crystal structure and Hirshfeld surface analysis of the cocrystal formed between 2,3-di­amino­pyrazine and 2,3,5,6-tetra­fluoro­terephthalic acid

The cocrystal formed between 2,3-di­amino­pyrazine and tetra­fluoro­phthalic acid, C₂₄H₁₆F₈N₈O₈, crystalizes as a salt in the triclinic space group P1 with one unique protonated 2,3-di­amino­pyrazinium cation, one half a tetra­fluoro­phthalic acid mol­ecule and one half of a tetra­fluoro­phthalate anion. The salt forms a corrugated two-dimensional supra­molecular network with cooperative neutral and charge assisted hydrogen bonding.

Synthesis and crystal structure of 2-(benzo[d]thia­zol-2-yl)-N′-[(E)-1-(4-bromo­phen­yl)ethyl­idene]acetohydrazide

The configuration across the formal N=C double bond of the 2-substituent is E; the atom sequence C—C—C(=O)—N—N=C—(bromo­phen­yl) of the 2-substituent is very approximately planar. A classical hydrogen bond and a halogen bond combine to form a layer structure.

Crystal structure of trans-(1,8-di­butyl-1,3,6,8,10,13-hexa­aza­cyclo­tetra­decane-κ⁴N³,N⁶,N¹⁰,N¹³)bis­(perchlorato-κO)nickel(II) from synchrotron data

The nickel(II) macrocyclic title complex shows centrosymmetric octa­hedral coordination with elongated axial Ni—O bonds. Unlike the Cu^II analogue, it forms a uniform hydrogen-bonded three-dimensional supra­molecular network, as revealed by synchrotron crystallography.

Syntheses and structures of bis­(2-amino­pyrimi­dine-κN¹)di­chlorido­zinc(II) (ortho­rhom­bic polymorph) and bis­(2-am­ino­pyrimi­dine-κN¹)di­iodido­zinc(II)

The crystal structures of ZnCl₂(C₄H₅N₃)₂ (second polymorph) and ZnI₂(C₄H₅N₃)₂ were determined. Both are built up from discrete tetra­hedral complexes that are connected via inter­molecular hydrogen bonds.

Synthesis and crystal structure of poly[(2,6-di­methyl­pyra­zine-κN⁴)(μ₃-thio­cyanato-κ³N:S:S)copper(I)]

In the title compound, the copper(I) cations are tetra­hedrally coordinated and linked into layers by μ-1,3,3(N,S,S) bridging thio­cyanate anions.

Crystal structure of a π-conjugated N-donor ligand-bridged anionic bis­muth(III) iodide one-dimensional coordination polymer

A π-conjugated N-donor ligand links μ₂-iodido-bridged dinuclear [Bi₂I₈]²⁻ units to afford a rare one-dimensional anionic iodido­bis­muth(III) coordination polymer, which was synthesized and structurally characterized by single-crystal X-ray diffraction.

Crystallographic workshops – a primer and perspective from Whitworth University's Summer Crystallography Institute

Whitworth University's recent Summer Crystallography Institutes offer important insights into training and engaging the next generation of structural scientists in a workshop setting.