Synthesis, structural characterization and luminescence properties of 1-carb­oxy­methyl-3-ethyl­imidazolium chloride

A carboxyl-functionalized imidazolium chloride has been synthesized and characterized by a variety of experimental techniques. In the crystal structure, cations and anions are organized by a combination of supra­molecular C—H⋯Cl, C—H⋯O, and O—H⋯Cl inter­actions to build a three-dimensional hydrogen-bonded network. The compound shows a short-lived blue fluorescence and a long-lived green phospho­rescence.

Novel asymmetric 3,5-bis­(aryl­idene)piperidin-4-one derivatives: synthesis, crystal structures and cytotoxicity

Three asymmetric 3,5-bis­(aryl­idene)piperidin-4-one derivatives (BAPs) were synthesized and their structures elucidated by single-crystal X-ray diffraction. Preliminary evaluations were conducted on their cytotoxicities against HepG2, THP-1 and LO2.

Synthesis, crystal structure and thermal properties of an unsymmetrical 1,2,4,5-tetra­zine energetic derivative

A new unsymmetrical s-tetra­zine derivative has improved stability and detonation properties due to the introduction of a hy­droxy group, which increases the number of hydrogen-bond inter­actions. This study demonstrates that the performance of an explosive can be optimized through structural modification.

Dinuclear neodymium and lanthanum bis­(2,6-di­iso­propyl­phen­yl) phos­phate complexes bearing a hydroxide ligand: catalytic activity of the Nd complex in 1,3-diene polymerization

Crystal structures of the [La₂{(2,6-ⁱPr₂C₆H₃-O)₂POO}₅(OH)(H₂O)₂]·2(hexa­ne) and [Nd₂{(2,6-ⁱPr₂C₆H₃-O)₂POO}₄(OH)(H₂O)₄]⁺[(2,6-ⁱPr₂C₆H₃-O)₂POO]⁻·2(hepta­ne) complexes bearing both bis­(2,6-diiso­propyl­phen­yl) phos­phate and hydroxide ligands exhibit intra- (La) or inter­molecular (Nd) O—H⋯O hydrogen bonds. The neodymium complex demonstrates catalytic activity in 1,3-diene polymerization.

Concomitant polymorphism in an organometallic ruthenium(II) complex with an N,N′-donor ligand

Two concomitant polymorphs of a ruthenium complex were crystallized. The colour of both crystals was orange but the shapes, as well as the crystal structures, were different. The Hirshfeld surface and fingerprint plot analysis of both isomers satisfactorily explained the difference in melting points.

A new polymorph of the gastrokinetic drug cisapride monohydrate

A new polymorph of cisapride monohydrate was obtained and characterized by single-crystal X-ray diffraction. The mol­ecular conformations, inter­molecular inter­actions, Hirshfeld surface analysis, crystal habit and relative stability are compared between the new and a previously reported polymorph.

A concise synthesis of a highly substituted 6-(1H-benzimidazol-1-yl)-5-nitroso­pyrimidin-2-amine: synthetic sequence and the mol­ecular and supra­molecular structures of one product and two inter­mediates

Structures are reported for two inter­mediates and one product along a synthetic pathway to highly substituted 6-(1H-benzo[d]imidazol-1-yl)-5-nitrosopyrimidin-2-amines. Inter­mediates for two such products crystallize as dimethyl sulfoxide solvates.

Two hydrazones derived from 1-aryl-3-(p-substituted phen­yl)prop-2-en-1-one: synthesis, crystal structure, Hirshfeld surface analysis and in vitro biological properties

Two hydrazones exhibit zigzag chains inter­connected through noncovalent contacts. A qu­anti­tative analysis of the inter­molecular inter­actions in the crystal structures was performed. The results of anti­bacterial and anti­oxidant activity evaluation indicated that the compounds show significant activity against Gram negative Escherichia coli strain.

Binary polymorphic cocrystals: an update on the available literature in the Cambridge Structural Database, including a new polymorph of the pharmaceutical 1:1 cocrystal theophylline–3,4-di­hydroxy­benzoic acid

An analysis and classification of the 2925 neutral organic two-component mol­ecular complexes (binary cocrystals) in the Cambridge Structural Database is reported, focusing specifically on those both showing polymorphism and containing an active pharmaceutical ingredient.

M⁺M³⁺₂As(HAsO₄)₆ and α- and β-M⁺M³⁺(HAsO₄)₂ (M⁺M³⁺ = RbAl or CsFe): six new compounds crystallizing in three closely related structure types

The crystal structures of hydro­thermally synthesized α- and β-RbAl(HAsO₄)₂, α- and β-CsFe(HAsO₄)₂, RbAl₂As(HAsO₄)₆ and CsFe₂As(HAsO₄)₆ were solved by single-crystal X-ray diffraction. They adopt one known and two novel related structure types, one of which contains AsO₆ octa­hedra assuming the topological role of M³⁺O₆ octa­hedra.

Three-dimensional organic–inorganic hybrid sodium halide perovskite: C₄H₁₂N₂·NaI₃ and a hydrogen-bonded supra­molecular three-dimensional network in 3C₄H₁₂N₂·NaI₄·3I·H₂O

Two new organic–inorganic hybrid sodium halides based on the piperazinediium dication have been synthesized, with C₄H₁₂N₂·NaI₃ presenting a three-dimensional perovskite structure and 3C₄H₁₂N₂·NaI₄·3I·H₂O showing a three-dimensional hydrogen-bonded supra­molecular network.

Structural investigation of one- and two-dimensional coordination polymers based on cobalt–bis­(dioxolene) units and 1-hy­droxy-1,2,4,5-tetra­kis­(pyridin-4-yl)cyclo­hexa­ne

The structures of one- and two-dimensional cobalt coordination polymers based on 3,5-di-tert-butyl­dioxolene and 1-hy­droxy-1,2,4,5-tetra­kis­(pyridin-4-yl)cyclo­hexane are reported. Variable-temperature single-crystal X-ray diffraction studies suggest that the one-dimensional chain compound exhibits the onset of a temperature-driven valence tautomeric transition around room temperature.

Cocrystals of the antimalarial drug 11-aza­artemisinin with three alkenoic acids of 1:1 or 2:1 stoichiometry

The stoichiometry, structures and properties of cocrystals of the anti­malarial drug 11-aza­artemisinin (11-Aza) with trans-cinnamic acid (1:1 ratio), maleic acid (1:1 and 2:1 ratios) and fumaric acid (2:1 ratio) are reported. All the structures involve (8) heterosynthons between the 11-Aza lactam functionality and the alkenoic acid with short C=O⋯H—O hydrogen bonds.

Metal–organic framework assembled from erbium and a tetra­podal polyphospho­nic acid organic linker

The three-dimensional [Er(H₅btp)]·2.5H₂O (H₅btp is 5′-phosphono-[1,1′-biphen­yl]-3,3′,5-tri­phospho­nate) network can be prepared using three distinct synthetic approaches [solvo(hydro)­thermal, microwave-assisted and one-pot], with the crystallite size varying according to the method employed.

Hydrogen bonding and fluorous weak inter­actions in the non-isomorphous {4,4′-bis­[(2,2,3,3-tetra­fluoro­prop­oxy)meth­yl]-2,2′-bi­pyridine-κ²N,N′}di­bromido­palladium and -platinum complexes

The structural differences of two non-isomorphous dibromidopalladium and dibromidoplatinum complexes have been studied by Hirshfeld surface analysis and fingerprint plots.

Scandium complexes with the tetra­phenyl­ethyl­ene and anthracene dianions

The tetra­phenyl­ethyl­ene dianion (C₂Ph₄²⁻) exhibits the bis-η³-allyl coordination mode in the Sc complexes [Na(18-crown-6)(THF)₂][Sc(η⁶-C₂Ph₄)₂]·2(THF) and [(1,3-Ph₂C₅H₃)Sc(η⁶-C₂Ph₄)(THF)]·0.5(toluene). NMR studies of the [Sc(C₂Ph₄)₂]⁻ complex anion are presented. A novel scandium ate complex, [K(THF)₂]₂[(1,3-Ph₂C₅H₃)₂Sc₂(C₁₄H₁₀)₃]·THF, has a two-dimensional coordination polymer structure and demonstrates both the η⁶ and μ₂-η³:η³ coordination modes of the anthracenide ligand.