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 27 July 2016

A pseudo­tetra­hedral nickel(II) complex with a tridentate oxazoline-based scorpionate ligand: chlorido­[tris­(4,4-di­methyl­oxazolin-2-yl)phenyl­borato]nickel(II)

Three N atoms from the facially capping tridentate chelating tris­(4,4-di­methyl­oxazolin-2-yl)phenyl­borate ligand and a Cl atom coordinate an NiII ion in a highly distorted tetra­hedral geometry. The Ni—Cl bond length [2.1851 (5) Å] is comparable to those found in a previously reported tris­(3,5-di­methyl­pyrazol-1-yl)hydro­borate derivative [2.1955 (18) and 2.150 (2) Å]. The mol­ecular structure deviates from C3v symmetry due to the structural flexibility of the tris­(4,4-di­methyl­oxazolin-2-yl)phenyl­borate ligand.

Accepted 22 July 2016

Structure and physicochemical characterization of a naproxen–picolinamide cocrystal

The crystal structure is reported of a new 1:1 cocrystal of naproxen with picolinamide, and the pharmaceutically relevant properties are investigated. An NMR crystallography approach is used to distinguish between two crystallographically unique COOH–CONH hydrogen-bonded dimers and to confirm the location of the H atoms in the two dimers.

Accepted 15 July 2016

Side-on coordination mode of a pyrazolyl group in the structure of a divalent [Sm{B(3-Mepz)4}2] complex (3-Mepz is 3-methyl­pyrazol-1-yl)

Bis[tetra­kis­(3-methyl-1H-pyrazol-1-yl)borato]samarium(II) was synthesized by the reaction of SmI2 with potassium tetra­kis­(3-methyl­pyrazol­yl)borate in tetrahydrofuran. The X-ray structure analysis revealed an unusual side-on coordination mode of a 3-methyl­pyrazolyl group through an N=N group in the B(3-Mepz)4 ligand. The distortion is defined by the B—N—N—Sm torsion angle [85.5 (4)°].

Accepted 29 June 2016

Synthesis, structure, thermostability and luminescence properties of ZnII and CdII coordination polymers based on dimethysuccinate and flexible 1,4-bis­(imidazol-1-ylmeth­yl)benzene ligands

Two d10 coordination polymers of ZnII and CdII based on 2,2-di­methyl­succinate and flexible 1,4-bis­(imidazol-1-ylmeth­yl)benzene as coligands have been synthesized under hydro­thermal conditions. Both complexes display a two-dimensional layered architecture and were characterized by elemental analysis, X-ray crystallography, IR spectroscopy and thermogravimetric analysis. They also display strong blue photoluminescence in the solid state at room temperature.

Accepted 29 June 2016

Mono- and binuclear tris­(3-tert-butyl-2-sulfanyl­idene-1H-imidazol-1-yl)hydro­borate bis­muth(III) dichloride complexes: a soft scorpionate ligand can coordinate to p-block elements

The structure of a new mononuclear bis­muth(III) complex with the soft scorpionate ­(3-tert-butyl-2-sulfanyl­idene-1H-imidazol-1-yl)hydro­borate ligand is compared with that of the binuclear derivative.

Accepted 2 June 2016

Mol­ecular structures of tris­(1-tert-butyl-2-mercapto­imidazol­yl)hydro­borate complexes of titanium, zirconium and hafnium

The structural characterization of the tris(1-tert-butyl-2-mercaptoimidazol­yl)hydro­borate, [TmBut], complexes, Cp[κ3S2,H-TmBut]MCl2 (M = Zr and Ti), by X-ray diffraction demonstrates that the [TmBut] ligand coordinates in a κ3S2,H mode, while the benzyl compounds [TmBut]M(CH2Ph)3 (M = Zr and Hf) exhibit κ3S3 coordination.

Accepted 12 May 2016

A cadmium(II) coordination polymer formed from a third generation tetra­topic tris­(pyrazol­yl)methane ligand

The cadmium(II) complex of the tetra­topic ligand 1,2,4,5-C6H2[CH2OCH2C(pz)3]4 (pz is pyrazolyl) consists of a one-dimensional coordination polymer {1,2,4,5-C6H2[(CH2OCH2C(pz)3]4Cd2(BF4)4}n, showing infinite chains of 32-atom metallomacrocycles.

Accepted 22 April 2016

Nitrile coordination to rhodium does not lead to C—H activation

Tris(pyrazol­yl)borate complexes of rhodium are well known to activate C—H bonds. The reactive [Tp′Rh(PMe3)] fragment [Tp′ is tris­(3,5-di­methyl­pyrazol-1-yl)hydro­borate] is found to react with valero­nitrile to give a κ1N-bound complex. In contrast to the widespread evidence for the reaction of this fragment with C—H bonds via oxidative addition, no evidence for such a complex is observed.

Accepted 20 April 2016

The silver(I) complex [HB{3-(CF3),5-(CH3)Pz}3]AgNCCH3 supported by a partially fluorinated scorpionate ligand

The silver(I) adduct [HB{3-(CF3),5-(CH3)Pz}3]AgNCCH3 was obtained by treating [HB{3-(CF3),5-(CH3)Pz}3]Na with CF3SO3Ag in the presence of aceto­nitrile, and was isolated in 85% yield. Single-crystal X-ray diffraction analysis reveals that the AgI center has a pseudo-tetra­hedral all-nitro­gen coordination sphere and is supported by a tris­(pyrazol­yl)borate ligand that binds to the AgI center in a κ3-fashion.


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