forthcoming articles

The following articles are a selection of those recently accepted for publication in Acta Crystallographica Section C: Structural Chemistry.

See also Forthcoming articles in all IUCr journals.

Accepted 9 December 2016

Two closely related {4-[(N-substituted amino)(di­ethoxyphosphoryl)methyl]phenyl}boronic acids: crystal structures and solid-state fluorescence recognition for iodide

Two new B,P,N-containing compounds were synthesized via simple reactions and were structurally characterized. Inter­molecular hydrogen bonds link the independent mol­ecules into supra­molecular networks.

Accepted 6 December 2016

Structure determination of a partially ordered layered silicate material with an NMR crystallography approach

A structural model for the cetyltri­methyl­ammonium surfactant-templated layered silicate material, which lacks full three-dimensional crystallinity, is reported based an NMR crystallography approach which combines structural information obtained from powder X-ray diffraction and solid-state nuclear magnetic resonance spectroscopy.

Accepted 5 December 2016

The coordination complex structures and hydrogen bonding in the three-dimensional alkaline earth metal salts (Mg, Ca, Sr and Ba) of (4-amino­phenyl)arsonic acid

In the series of hydrogen-bonded structures of the alkaline earth metal (Mg, Ca, Sr and Ba) complexes with (4-amino­phen­yl)arsonic acid, with the exception of the Mg salt, all members form one-dimensional coordination polymers. Hydrogen-bonding inter­actions give overall three-dimensional supra­molecular structures which, in the case of the Sr and Ba complexes, include π–π ring inter­actions.

Accepted 4 December 2016

Polymeric structure of a coproporphyrin I ruthenium(II) complex: a powder diffraction study

The crystal structure of the coproporphyrin I RuII complex catena-poly[[carbonyl­ruthenium(II)]-μ-2,7,12,17-tetra­kis­[2-(eth­oxy­carbon­yl)eth­yl]-3,8,13,18-tetra­methyl­porphyrinato], has been determined from high-resolution synchrotron powder diffraction data. The RuII centre is coordinated by four N atoms in a basal plane, and by axial C and O atoms in a distorted octa­hedral geometry. Self-assembly of the mol­ecules during crystallization gives one-dimensional polymeric chains.

Accepted 24 October 2016

Inter­molecular inter­actions in AST zeolites through 14N NMR and DFT calculations

The reinvestigation of silica AST zeolite by 14N NMR and DFT calculations allows the highlighting of inter­molecular inter­actions involving the tetra­methyl­ammonium cations and fluoride anions (hydrogen and tetrel bonds) that strengthen the stability of the whole structure.

Accepted 4 October 2016

Solid-state NMR and short-range order in crystalline oxides and silicates: a new tool in paramagnetic resonances

In many oxide and silicate materials containing paramagnetic components at the hundreds of ppm to many percent level, high-resolution solid-state NMR spectra can provide important new types of information about short-range cation order/disorder, through often-large effects of unpaired electron spins on nuclear spins.

Accepted 22 September 2016

13C and 19F solid-state NMR and X-ray crystallographic study of halogen-bonded frameworks featuring nitro­gen-containing heterocycles

A crystallographic and structural analysis of halogen-bonded compounds by applying a combined X-ray diffraction (XRD) and solid-state nuclear magnetic resonance (SSNMR) approach is reported. 13C and 19F solid-state magic-angle spinning (MAS) NMR is shown to be a convenient method to characterize the structural features of the halogen-bond donor and acceptor, with chemical shifts attributable to cocrystal formation observed in the spectra of both nuclides.


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