issue contents

Journal logoSTRUCTURAL
CHEMISTRY
ISSN: 2053-2296

October 2023 issue

Highlighted illustration

Cover illustration: In four new dopamine salts, the dopamine cation adopts an extended conformation. Inter­molecular inter­action motifs that are common in the salt forms of tyramine can be found in related dopamine structures, but hydrogen bonding in the dopamine structures appear to be more variable and less predictable than for tyramine. See Kennedy, Cruickshank, Maher & McKinnon [Acta Cryst. (2023), C79, 386–394].

research papers


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In four new dopamine salts, the dopamine cation adopts an extended conformation. Inter­molecular inter­action motifs that are common in the salt forms of tyramine can be found in related dopamine structures, but hydrogen bonding in the dopamine structures appear to be more variable and less predictable than for tyramine.

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New processing of the raw diffraction data of a com­pound formulated in 2008 as [Tc2(μ-CO)2(NC5H5)2(CO)6] has revealed that the bridging ligands were actually methoxide. The formation of [Tc2(μ-OMe)2(NC5H5)2(CO)6] in the room-temperature reaction of [Tc2(CO)10] with pyridine might have been facilitated at the time by the presence of trace amounts of methanol and air in the reaction mixture.

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Mechanochemical synthesis via grinding of trimesic acid and 4-chloro­phenyl diphenyl phosphate (liquid at room temperature) in a 1:1 ratio resulted in the formation of an inclusion type of co­crystal. The crystallization of this phase via slow evaporation at low temperature (276–277 K) from methanol resulted in a rare `stairstep morphology' during the process of crystal growth.

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The synthesis, structural determination, spectroscopic and thermal characterization of two bis­muth succinate hydrates are presented. Both com­pounds are coordination polymers.

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First-principles calculations were carried out on ZrSe2, which has been of interest owing to its technologically important physical properties. The structural, electronic and optical properties of this compound were investigated under pressure through the plane wave pseudopotential approach within the framework of density functional theory. The optical properties of hexagonal ZrSe2 undergo a red shift with increasing pressure.

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Two acridone-based com­pounds, synthesized by a two-step route, adopt different mol­ecular orientations and packing styles, and the torsional vibration of the di­cyano­methyl­enated acridone (DCNAD) skeleton is suppressed by C≡N⋯π inter­actions, which makes the crystals exhibit fluorescence.

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The hydro­gen-bond inter­actions exhibited by four pyrimidinium salts generate a variety of supra­molecular assemblies in three-dimensional space as networks, sheets and ladders. The mol­ecular recognition process, recurring hydro­gen-bond motifs and supra­molecular assemblies will help in fine tuning properties for desired needs.

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An interesting collection of previously published articles features Coordination polymers, with an introduction by Len Barbour.

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