issue contents

Journal logoSTRUCTURAL
CHEMISTRY
ISSN: 2053-2296

November 2023 issue

Highlighted illustration

Cover illustration: A new pyrrole–pyrazole hybrid, synthesized through a citric acid-catalyzed Paal–Knorr reaction, presents a crystal structure controlled by C—H⋯π and dispersion forces. Despite the weak inter­actions, the solid shows thermal stability. See Moreno-Suárez, Avila-Acosta, Sánchez-Ramírez, Castillo & Macías [Acta Cryst. (2023), C79, 472–479].

scientific commentaries


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There is a need for validation methods to ensure the quality and consistency of reported data, but a recent article by Raymond and Girolami [Acta Cryst. (2023), C79, https://doi.org/10.1107/S2053229623007088] will alert chemists, crystallographers, referees, and editors to not always trust the crystal structure but also to ensure that the chemistry is consistent with previous chemistry.

topical reviews


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Although analysing crystallographic results with available software tools can catch many types of errors, others can be detected only by combining knowledge of both crystallography and chemistry. We discuss several such examples from the published literature, and for each of them we identify what lessons they teach us.

research papers


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An unprecedented example of an anionic (arene)copper com­plex has been prepared and structurally characterized in the salt [K(THF)2]2[Cu2(anthracene)2] (THF is tetra­hydro­furan), which con­tains the first homoleptic anthracene com­plex of a d- or f-block metal bound only to the central ring of anthracene.

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Single crystals of Ba2YAlO5 and of the α and β phases of Ba6Y2Al4O15 suitable for X-ray structural analysis were obtained via grain growth of polycrystalline samples prepared by solid-state reactions. In each of these com­pounds, BO6 octa­hedra in ABO3 perovskite-type structures were replaced by AlO4 tetra­hedra and YO6 octa­hedra. Polycrystalline samples in which some Y atoms were replaced with Eu exhibited orange–red luminescence.

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A new pyrrole–pyrazole hybrid, synthesized through a citric acid-catalyzed Paal–Knorr reaction, presents a crystal structure controlled by C—H⋯π and dispersion forces. Despite the weak inter­actions, the solid shows thermal stability.

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5-[(Di­methyl­amino)­methyl­idene]-4-{[3-(tri­fluoro­meth­yl)phen­yl]amino}-1,3-thia­zol-2(5H)-one and the [4-(tri­fluoro­meth­yl)phen­yl]amino derivative, with the tri­fluoro­methyl group at the arene ring in the meta and para positions, were synthesized to study the structural changes occurring on prototropic tautomerism of the amidine system. Both isomers exist in the liquid and solid phases in the amino tautomeric form.

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

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