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 23 August 2016

The hydrogen-bonded four-component complex bis­(tert-butyl­ammonium) 2,6-di­chloro­phenolate (2,4-di­chloro­phenol 2,4-di­chloro­phenolate) tetra­hydro­furan disolvate: the supra­molecular synthon of a chiral R_{5}^{3}(10) hydrogen-bond ring

In the solvated salt derived from 2,4-di­chloro­phenol, tert-butyl­amine and 2,6-di­chloro­phenol, the five components are bound by N—H⋯O and O—H⋯O hydrogen bonds to form a hydrogen-bond ring with the graph-set motif R_{5}^{3}(10), which is further associated with two pendant tetra­hydro­furan solvent mol­ecules by N—H⋯O hydrogen bonds. The hydrogen-bonded ring has inter­nal symmetry with a twofold axis running through the centre of the 2,6-di­chloro­phenolate anion, and is isostructural with a previous structure.

Accepted 23 August 2016

Concomitant polymorphs of 1,3-bis­(3-fluoro­phenyl)urea

1,3-Bis(3-fluoro­phen­yl)urea crystallizes in two conformational polymorphs. The urea molecules assemble into one-dimensional hydrogen-bonded chains, which adopt anti­parallel and parallel alignments in the two forms.

Accepted 23 August 2016

A new high-pressure strontium germanate, SrGe2O5

A new strontium germanate, SrGe2O5, has crystallized at 6 GPa and 1223 K, and its crystal structure has been determined and refined using single-crystal X-ray diffraction. The effect of cation size on the crystal structure is discussed in terms of bonding nature.

Accepted 18 August 2016

Spectroscopic characterization and mol­ecular structure of 3,14-di­methyl-2,6,13,17-tetra­aza­penta­cyclo­[16.4.0.12,17.16,13.07,12]tetra­cosa­ne

3,14-Dimethyl-2,6,13,17-tetra­aza­penta­cyclo­[16.4.0.12,17.16,13.07,12]tetra­cosane was synthesized and characterized by elemental, spectroscopic and single-crystal X-ray diffraction analyses. The crystal structure is stabilized by inter­molecular C—H⋯N hydrogen bonds. NMR and IR spectroscopic properties support the methyl­ene-bridged macrocyclic structure.

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 chloride ligand 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 27 July 2016

Silver(I) and rhenium(I) metal complexes of a 2,2′-bi­pyridine-functionalized third-generation tris­(pyrazol­yl)methane ligand

The heteroditopic Bipy–CH2–O–CH2–C(pz)3 ligand (Bipy-L; Bipy is 2,2′-bi­pyridine and pz is pyrazol­yl) reacts with AgI and ReI metallic centers to yield the {[Ag(μ-Bipy-L)]BF4·0.5Et2O}n coordination polymer and the [ReBr(Bipy-L)(CO)3] monometallic compound.

Accepted 24 July 2016

FcTp(R) (R = iPr or tBu): third-generation ferrocenyl scorpionates

Thallium(I) and cobalt(II) halide complexes of the ferrocenyltris(3-R-pyrazol­yl)borate ligand (FcTpR, with R = iPr or tBu) have been synthesized and their structural characteristics determined to expand the range of redox-active third-generation scorpionates.

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

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 3 May 2016

The structures of two scorpionates: thallium tetra­kis­(3-phenyl-1H-pyrazol-1-yl)borate and potassium tetra­kis­(3-cyclo­propyl-1H-pyrazol-1-yl)borate

The different motifs present in the Cambridge Structural Database concerning tetra­kis­pyrazolylborates have been analyzed and two new structures, a Tl+ and a K+ salt, resolved. Compared with the previously reported motifs, one of them is new.


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