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Journal logoSTRUCTURAL
CHEMISTRY
ISSN: 2053-2296

March 2022 issue

Highlighted illustration

Cover illustration: Unprecedented examples of bis­(naphthalene)- and (anthracene)vanadates have been prepared and structurally characterized, including presently unique examples of salts containing a bis­(arene)metallate dianion, [K(THF)2]2[V(naphthalene)2] (THF is tetra­hydro­furan), and a dimetallabis(anthracene) sandwich com­plex, the depicted [Na(THF)3][V2(anthracene)2]. See Kucera, Young, Brennessel & Ellis [Acta Cryst. (2022), C78, 148–163].

research papers


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A nickel chloride Schiff base com­plex with mirror-plane disorder provides a case study for crystallographic instruction.

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A disproportionate disorder is observed for the furyl ring of 8-furyl­imidazolo-2′-de­oxy­cytidine (furImidC) due to atropisomerism, with the two isomers related to each other by a 180° rotation about the C8—C2′′ bond. furImidC shows an anti conformation at the glycosyl bond and a C2′-endo sugar pucker of the 2′-de­oxy­ribosyl moiety. The mol­ecule is fluorescent and the fluorescence responds to solvent viscosity.

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Unprecedented examples of bis­(naphthalene)- and (anthracene)vanadates have been prepared and structurally characterized, including presently unique examples of salts containing a bis­(arene)metallate dianion, [K(THF)2]2[V(naphthalene)2] (THF is tetra­hydro­furan), and a dimetallabis(anthracene) sandwich com­plex, the depicted [Na(THF)3][V2(anthracene)2].

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A three-dimensional copper(II) metal–organic framework (MOF), with a 2-nodal (3,4)-net, was assembled from 1,3,5-tris­(2-methyl­imid­azol-1-yl)ben­zene and ben­zene-1,3,5-tri­carb­oxy­lic acid. The thermal stability and photo­catalytic properties of this MOF were investigated and it was found to exhibit good photo­catalytic capabilities in the degradation of methyl­ene blue (MB).

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The aim of this study is to determine how far the length and number of the pendant arms in nitrile-functionalized derivatives of small mixed-donor macrocycles influence the structure of silver(I) com­plexes, both in the presence and absence of exogenous ligands.

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Three benzoannelated macrobicyclic di­amides were synthesized, characterized, and analyzed by X-ray crystallography. The compounds show the structural effects of varying the location of the di­amides and changing the size of the macrocycles.

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The proton-transfer com­plexes of 2-amino-4-meth­oxy-6-methyl­pyrimidinium with 4-amino­salicylate and 5-chloro­salicylate were synthesized by slow evaporation and crystallized. The cations and anions form distinct synthons. Energy framework calculations showed the stability of the hydrogen-bonding inter­actions. QTAIM analysis revealed the nature of the chemical bonding and the charge–density distribution in the inter­molecular inter­actions in the crystal structures.

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A new cocrystal of coumarin-3-carb­oxy­lic acid and thio­urea has been successfully obtained via a neat grinding method in a 1:1 stoichiometric ratio. An evaluation of the biological activity of the cocrystal revealed that it is a potent and noncytotoxic DPPH radical scavenger and therefore a potential candidate to explore further for its anti­oxidant properties.

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A thia­zole-based heterocyclic amide, N-(thia­zol-2-yl)furan-2-carboxamide, was synthesized and investigated for its anti­microbial activity against eight microorganisms and showed good activity against all eight microorganisms. This suggests that the compound merits further study for potential pharmacological and medical applications.

Special and virtual issues

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Acta Crystallographica Section C has recently published special issues on

Polyoxometalates (November 2018)

NMR Crystallography (March 2017)

Scorpionates: a golden anniversary (November 2016)

Full details are available on the special issues page.

The latest virtual issue features Coordination polymers, with an introduction by Len Barbour.

What are the 'most read' articles from the recent special issues?

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