issue contents

Journal logoSTRUCTURAL
CHEMISTRY
ISSN: 2053-2296

May 2017 issue

Highlighted illustration

Cover illustration: The syntheses and structures of two polymorphs of (3-ferrocenylprop-2-en-1-yl)tri­phenyl­phospho­nium iodide are reported. A mol­ecular fit shows that the two cations can be nearly superimposed. The packing is controlled by C-H...[pi] and C-H...I inter­actions, and in one polymorph by [pi]-[pi] stacking. The geometry within the ferrocenyl allyl fragment is compared with structures extracted from the Cambridge Structural Database. See Bouchene, Daran, Merazig, Manoury & Bouacida [Acta Cryst. (2017), C73, 376-381].

research papers


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A zinc(II) coordination polymer based on pyridin-3-yl­phospho­nic acid, displaying a three-dimensional supra­molecular channel network in the solid state, has been hydro­thermally synthesized and experimentally and theoretically characterized by single-crystal X-ray diffraction, vibrational spectroscopy and periodic DFT calculations.

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The crystal structure of [Sr2(BTEC)(H2O)]n (BTEC is benzene-1,2,4,5-tetra­carboxyl­ate) has been studied using X-ray diffraction, vibrational spectroscopy and thermal methods. The extended three-dimensional framework contains two-dimensional inorganic layers connected through organic linkers.

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The syntheses and structures of two polymorphs of (3-ferrocenylprop-2-en-1-yl)tri­phenyl­phospho­nium iodide are reported. A mol­ecular fit shows that the two cations can be nearly superimposed. The packing is controlled by C—H⋯π and C—H⋯I inter­actions, and in one polymorph by π–π stacking. The geometry within the ferrocenyl allyl fragment is compared with structures extracted from the Cambridge Structural Database.

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Seven mononuclear transition metal complexes with different structural forms were prepared by the reaction of transition metal salts (ZnII, CdII, CoII and NiII) and 5-(4-methyl­phen­yl)-3-(pyridin-2-yl)-1H-1,2,4-triazole (pymphtzH), under either ambient or hydro­thermal conditions, and form three-dimensional supra­molecular structures through hydrogen bonds or π–π stacking inter­actions between the centroids of the pyridyl or arene rings. On the basis of X-ray structure analyses, the anionic ligands are found to play an important role in determining the structures and can influence the coordination geometry of the metal atoms and the N—M—N angles.

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A new stepped tetra­nuclear copper(II) complex has been synthesized and characterized using elemental analyses, UV and IR spectroscopy, single-crystal X-ray diffraction and a photoluminescence study. The two terminal CuII atoms are four-coordinated in square-planar environments, while the two central CuII atoms are five-coordinated in square-pyramidal environments.

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A new cobalt(II) pyridine-based coordination compound showing π–π inter­actions with large horizontal displacements between the 4-amino­pyridine ligands and N—H⋯Cl and C—H⋯Cl hydrogen bonds is reported. The mol­ecular and supra­molecular structures have been studied in detail and compared with those of similar complexes found in a search of the Cambridge Structural Database. The supra­molecular structure was also investigated by Hirshfeld surface analysis.

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The benzene, toluene and xylene solvates of a tetra­hydro­furochromenone are isostructural, having similar space groups and unit-cell parameters, and the positions of corresponding atoms are approximately the same and result in similar crystal packings.

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In a new monomeric CuII complex with 3-{[(3-hy­droxy­prop­yl)imino]­meth­yl}-4-nitro­phenolate ligands, inter­molecular O—H⋯O hydrogen bonds link the mol­ecules to form a one-dimensional chain structure and π–π contacts also connect the mol­ecules to form a three-dimensional structure. The complex displays a strong green photoluminescence emission at 520 nm.

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The X-ray structural characterization of a scandium(III) cyclo­octa­tetra­enyl chloride complex reveals its dinuclear structure with one terminal tetra­hydro­furan mol­ecule per metal atom. Direct comparison with the known lanthanide analogues (La, Ce, Pr, Nd, and Sm) illustrates the effect of metal-ion size on mol­ecular structure.

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Two cadmium(II) fluorous coordination compounds with different bi­pyridine ligands, i.e. 2,2′-bi­pyridine and 4,4′-bi­pyridine, adopt different coordination modes (Cd—O or Cd—N coordination bonds) to form one-dimensional chains. The supra­molecular structures are constructed by π–π stacking, O—H⋯O hydrogen bonds and strong C—H⋯F—C inter­actions.

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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