issue contents

Journal logoSTRUCTURAL
CHEMISTRY
ISSN: 2053-2296

January 2019 issue

Highlighted illustration

Cover illustration: Two novel energetic salts of ethyl­enedinitramine (EDNA) with alkanedi­amines have been crystallized and analyzed for their thermal properties. The extensive hydrogen-bonding networks in the energetic salts serve to improve their friction and shock sensitivity. See Roodt, Uprety, Levendis & Arderne [Acta Cryst. (2018), C74, 54-60].

research papers


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The compound 4-phenyl-1-[phen­yl(pyridin-2-yl)methyl­idene]semicarbazide crystallized as the E isomer due to the existence of weak π–π inter­actions between pairs of mol­ecules. Its inorganic salts also crystallized as the E isomers, influenced by the establishment of hydrogen bonds involving the N—H groups of the cation and the water mol­ecules and counter-ions (chloride, nitrate or thio­cyanate). The calculated IR spectrum of the hydrated cation is in good agreement with the experimental results.

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A new two-dimensional coordination polymer based on 5,5′-methyl­enebis(2,4,6-tri­methyl­isophthalic acid) and 2,7-bis­(1H-imidazol-1-yl)fluorene has been prepared and structurally characterized.

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The [4]pseudorotaxane of β-cyclo­dextrin (β-CD) with coffee chloro­genic acid (CGA) is reported for the first time in CD inclusion complexes. The atomistic and thermodynamic insights of the trimodal and dimeric β-CD–CGA inclusion complexes are gained through single-crystal X-ray diffraction combined with DFT calculations.

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The crystal structure of a heterocyclic mol­ecule that exhibits an acceptor–acceptor–donor hydrogen-bonding pattern is reported, namely 2-amino­imidazo[1,2-a][1,3,5]triazin-4(3H)-one (trivially named P). P is part of an `artificially expanded genetic information system' (AEGIS). The crystal structure shows two tautomers of P packed in a Watson–Crick fashion cocrystallized in a 1:1 ratio.

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This work reports a new aceto­nitrile-solvated cocrystal of piroxicam (PRX) and succinic acid (SA). The outcome of crystallization from aceto­nitrile can be controlled by varying only the PRX:SA ratio, with a higher PRX:SA ratio in solution unexpectedly favouring a lower stoichiometric ratio in the solid product.

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Four novel isostructural lanthanide(III) coordination polymers based on a novel N-oxydic pyridyl naphthalenedi­imide ligand were synthesized and their crystal structures analysed. One of them demonstrates potential as an indirect band gap semiconductor material.

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The electron-density-derived properties of the cocrystal of an anti­malarial drug were studied using X-ray diffraction data collected at room temperature.

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Two novel energetic salts of ethyl­enedinitramine (EDNA) with alkanedi­amines have been crystallized and analyzed for their thermal properties. The extensive hydrogen-bonding networks in the energetic salts serve to improve their friction and shock sensitivity.


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Four 2,2′-bis­indolyl­methanes (BIMs) were synthesized and two were characterized crystallographically. These compounds show remarkably similar hydrogen-bonding motifs in the solid state.

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In the structures of two chalcogena­penta­lene derivatives, 6-phenyl-6,7-di­hydro-5H-2,3-dioxa-2aλ4-selena­cyclo­penta­[hi]indene and 5-phenyl-5,6-di­hydro-4H-benzo[c][1,2]oxa­selenole-7-carbaldehyde, the former is stabilized by Se—O bonds, while in the latter, there is both an Se—Se bond and an Se⋯O inter­action, which helps in the stabilization of the structure.

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The statistically identical chiral architectures constructed from N—H⋯O and C—H⋯O hydrogen bonds are discussed for a pair of optical isomers belonging to the amido­phospho­ester family.

book reviews


Special and virtual issues

Acta Crystallographica Section C has recently published special issues on

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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