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Journal logoIUCrDATA
ISSN: 2414-3146

June 2026 issue

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Cover illustration: The reaction that led to the serendipitous crystallization of the complex fac-tris(dimethyl sulfoxide-κO)tris­(thio­cyanato-κN)iron(III), Fe(NCS)3(DMSO)3 (DMSO is di­methyl­sulfoxide), was originally designed for the solvothermal synthesis of a heteroleptic iron complex, with aceto­nitrile serving both as solvent and nitrile substrate for a possible in situ azide–nitrile cyclo­addition leading to a tetra­zole-containing ligand. The asymmetric unit contains one neutral mol­ecule in which the central FeIII atom exhibits a distorted octa­hedral coordination environment. The three N-bonded thio­cyanato ligands and the three O-bonded dimethyl sulfoxide ligands adopt a fac configuration. In the crystal, weak C—H⋯S hydrogen bonds link the complexes into centrosymmetric dimers that are arranged in layers parallel to (001). See: Bensegueni & Cherouana [IUCrData (2026). 8, x260592].

metal-organic compounds


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The title complex adopts a fac-octa­hedral coordination environment around the central FeIII atom with three O-bonded dimethyl sulfoxide ligands and three N-bonded iso­thio­cyanate ligands.

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The title compound crystallizes with one neutral RuII species, one cationic RuII species and a BF4 counter-ion in the asymmetric unit. Both RuII centres adopt the expected piano-stool geometry, with the η6-p-cymene ligand forming the seat and the chlorido and bidentate amino-alcohol-derived ligands occupying the remaining coordination sites.

organic compounds


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The title imidazolium picrate salt crystallizes in the triclinic space group P1. The asymmetric unit consists of one imidazolium cation and one picrate anion. There is an intra­molecular N—H⋯O hydrogen bond within the imidazolium cation and an inter­molecular N—H⋯O hydrogen bond between the imidazolium cation and the picrate anion. In the crystal, the ions are further associated through π–π stacking inter­actions,

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In the title compound, the dihedral angle between the aromatic rings is 13.06 (6)° and an intra­molecular O—H⋯S hydrogen bond supports the mol­ecular conformation. In the extended structure, weak C—H⋯O hydrogen bonds connect the mol­ecules into [010] chains.

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The title compound crystallizes in the triclinic space group P1. The ethene derivative is substituted by two phenyl groups in 2-position and two 3,5-di­methyl­pyrazolinium units in 1-position, which makes this alkene into a dication. Two chloride ions act as counter-ions in the crystal structure and are linked via N—H⋯Cl and C—H⋯Cl inter­actions with the alkene. The crystal structure features a three-dimensional network stabilized by N—H⋯Cl, C—H⋯Cl and C—H⋯π inter­actions.

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Single crystals of 2-[(3-chloro-2-methyl­phen­yl)amino]­quinoline-3-carb­oxy­lic acid were obtained from slow evaporation of an ethyl acetate solution. In the crystal, the mol­ecules pair up to form acid–acid homodimers.

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The title mol­ecule contains a carboxamide fragment in which the amide N atom is bonded to a phenyl group, while the carbonyl C atom is attached to a biphenyl unit. In the crystal, mol­ecules are linked by N—H⋯O hydrogen bonds, forming chains running parallel to the a axis. These chains are further connected by C—H⋯π inter­actions, resulting in a three-dimensional supra­molecular network.

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The title compound, C9H10O3, was synthesized through a Fischer esterification: the crystal comprises two independent mol­ecules with essentially the same planar structures.

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The crystal structure of the title imidazolium picrate salt is consolidated by N—H⋯O hydrogen bonds and multiple offset π–π stacking contacts between neighbouring aromatic rings; the nitro-group oxygen atoms of the picrate anion are positionally disordered.

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The crystal structure of C19H26N2O2+·Cl, an inter­mediate in the synthesis of the selective κ-opioid receptor agonist U50,488, is reported. The compound crystallizes as a centrosymmetric structure with both (S,S)- and (R,R)-enanti­omers in the unit cell. In the crystal, the chloride ion facilitates the formation of enanti­omeric pairs through N—H⋯Cl hydrogen bonds.

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The crystal structure of the methanol-solvated hydro­chloride salt of the selective κ-opioid receptor agonist (±)-U50,488 is reported. The compound crystallized as a racemate of the (S,S) and (R,R) enanti­omers, consistent with the anti-selective nucleophilic substitution used in its synthesis. This study provides the first structural characterization of the hydro­chloride salt form of this widely used pharmacological compound.
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