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Journal logoSTRUCTURAL
CHEMISTRY
ISSN: 2053-2296

January 2022 issue

Highlighted illustration

Cover illustration: The crystal structures of anhydrous psilocybin Forms A and B have been solved using laboratory powder X-ray diffraction data, refined using synchrotron and laboratory data, and optimized by applying density functional techniques. The crystal structures, along with that of the previously determined trihydrate, permit the qu­anti­tative analysis of a variety of historical samples of psilocybin. See Sherwood, Kargbo, Kaylo, Cozzi, Meisenheimer & Kaduk [Acta Cryst. (2022), C78, 36–55].

research papers


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Hydro­thermally treated Al- and Ga-stabilized stuffed Li garnets, nominally Li7La3Zr2O12, have been investigated by single-crystal X-ray diffraction to determine structural and site-occupation alterations due to LiI/HI exchange.

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A novel hydrogen-bonding N-oxide–sul­fon­amide–nitro N—H⋯O synthon has been recognized in the solid state. The effectiveness of proton-acceptor groups has been analyzed in terms of energetic properties with the Quantum Theory of Atoms in Mol­ecules approach.

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The crystal structures of four new xylenoxyamino­alcohol derivatives having anti­convulsant activity, three of which are salts, are reported. The protonation of the N atom influences the conformation of the mol­ecular linker between the two aromatic rings and changes the orientation of the rings. Structural studies have been enriched by the calculation of Hirshfeld surfaces and the corresponding fingerprint plots.

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Two 2D isostructural CoII/NiII coordination polymers were synthesized based on the 2-(4-carb­oxy­phen­oxy)terephthalate ligand. The com­plexes contain dimeric metal motifs with flying butterfly arrangements. Both of them exhibit anti­ferromagnetic inter­actions.

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The crystal structures of two thio-ligands, 3-formyl­pyridine 4-phenyl­thio­semi­car­ba­zone (3-pytscH-NHPh) and 4-benzoyl­pyridine 4-ethyl­thio­semi­car­ba­zone (4-bpytscH-NHEt), and of two new coordination compounds, namely, [CuCl(3-pytscH-NHPh)(PPh3)2]·CH3CN and [Ni(3-pytsc-NHEt)2], are reported.

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The crystal structures of anhydrous psilocybin Forms A and B have been solved using laboratory powder X-ray diffraction data, refined using synchrotron and laboratory data, and optimized by applying density functional techniques. The crystal structures, along with that of the previously determined trihydrate, permit the qu­anti­tative analysis of a variety of historical samples of psilocybin.


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The FeIIIS2N2O2 chromophore contains two O,N,S-donating monoanionic semicarbazonate igands in perpendicular planes, with the O and S atoms in cis and the N atoms in trans positions. The FeIII ion is in the high-spin state at 100 K.

Special and virtual issues

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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