forthcoming articles

The following articles are a selection of those recently accepted for publication in Acta Crystallographica Section E: Crystallographic Communications.

See also Forthcoming articles in all IUCr journals.

Accepted 23 April 2019

Crystal structure of catena-[(μ-4,4′-bi-1,2,4-triazole)-κ2:N1:N1′][bis­(μ3-4,4′-bi-1,2,4-triazole-κ3N1:N2:N1′)tetra­kis­(μ-chlorido)]tetra­chlorido­tetra­copper(II)

The self-assembly of Cu2+ cations, chloride anions and 4,4′-bi-1,2,4-triazole) (C4H4N6; btr) in aqueous solution resulted in a new three-dimensional coordination polymer, which was structurally characterized. A characteristic feature of the coordination framework is the presence of [–(μ-Cl)CuCl–]n helical chains inter­linked by the btr ligands.

Accepted 22 April 2019

Crystal structure of 2,3,5,6-tetra­bromo­terephthalodi­nitrile

The title compound is the first bromo analog in a study of cyano–halo (C≡N⋯X) non-bonded contacts in crystals of halogenated di­cyano­benzenes. Each Br atom accepts one C≡N⋯Br non-bonded contact, and each N atom is bis­ected by two, forming a nearly planar sheet structure.

Accepted 21 April 2019

The crystal structures of the ligand N-(quinolin-8-yl)pyrazine-2-carboxamide and of a tetra­nuclear copper(II) complex

The title tridentate ligand (HL1), crystallizes with three independent mol­ecules in the asymmetric unit. Its reaction with Cu(Ac)2 produced a tetra­nuclear complex with a central tetra­kis­(μ-acetato)­dicopper paddle-wheel moiety linked on either side via bridging acetate anions to a mononuclear copper(II)–(L1) complex.

Accepted 18 April 2019

Partial charge transfer in the salt co-crystal of L-ascorbic acid and 4,4′-bi­pyridine

In the title 1:2 co-crystal, L-ascorbic acid (LAA) and 4,4′-bi­pyridine (bpy) co-crystallize with two mol­ecules of LAA, and one mol­ecule of bpy in the asymmetric unit. The structure was modeled in two parts due to possible proton transfer from LAA to the corresponding side of the bpy mol­ecule having an occupancy of approximately 0.25 and part 2 with an occupancy of approximately 0.75.

Accepted 16 April 2019

Potassium chlorido­tris­(hypersil­oxy)aluminate dimer

The tris­(tri­methyl­silylsiloxide) ligand, also known as hypersiloxide, is an extremely bulky group. In an attempt to make the monomeric Al(OSi(SiMe3)3)3, AlCl3 was combined with 3 equiv. of potassium hypersiloxide. The title compound, a KCl adduct of aluminium tris­(hypersilyloxide) that is dimerized through a planar K2Cl2 ring, was isolated.

Accepted 16 April 2019

Crystal structure and optical properties of fused-ring chalcone (E)-3-(anthracen-9-yl)-1-(4-nitro­phen­yl)prop-2-en-1-one

The title chalcone derivative adopts an s-cis conformation with respect to the enone fragment and is non-planar with a dihedral angle of 48.63 (14)° between the anthracene ring system and the nitro­benzene ring. In the crystal, mol­ecules are linked into inversion dimers with an R_{2}^{2}(10) graph-set motif via pairs of inter­molecular C—H⋯O hydrogen bonds.

Accepted 16 April 2019

Synthesis and structural study of tris­(2,6-di­amino­pyridinium) bis­(oxalato)dioxidovanadate(V) 2.5-hydrate

The synthesis of complex compounds based on vanadium oxalates has grown considerably during the last decades, because of there biological and catalytic applications. This paper describes the synthesis and characterization of a new dioxovanadate(V) complex, (C5H8N3)3[VO2(C2O4)2]·2.5H2O.

Accepted 16 April 2019

Polymorphism and pseudosymmetry of 10,10′-oxybis(9-thia-10-hydro-10-boraanthracene)

Two polymorphs of the title compound are reported. The first crystallizes in the non-centrosymmetric space group P21 with four mol­ecules, related by pseudosymmetry, in the asymmetric unit. The second crystallizes in the centrosymmetric space group P21/c with only two mol­ecules in the asymmetric unit.

Accepted 15 April 2019

Crystal structure and Hirshfeld surface analysis of (μ-2-{4-[(carboxyl­atometh­yl)carbamo­yl]benz­amido}­acetato-κ2O:O′)bis­[bis­(1,10-phenanthroline-κ2N,N′)copper(II)] dinitrate N,N′-(1,4-phenyl­enedicarbon­yl)diglycine monosolvate octa­hydrate

The CuII atom in the title compound has a distorted trigonal–bipyramidal coordination environment defined by four N atoms from two bidentate 1,10-phenanthroline ligands and one oxygen atom from one-half of the monodentate N,N′-(1,4-phenyl­enedicarbon­yl)diglycinate ligand. The dinuclear complex cations and the nitrate counter-anions as well as the solvate mol­ecules are linked by an intricate network of hydrogen bonds.

Accepted 13 April 2019

Crystal structure and Hirshfeld surface analysis of rac-2-[2-(4-chloro­phen­yl)-3,4-di­hydro-2H-1-benzo­pyran-4-yl­idene]hydrazine-1-carbo­thio­amide

The title compound, is a Schiff base derivative of a thio­semicarbazide with a flavanone. In the crystal, mol­ecules are linked by two pairs of N—H⋯S hydrogen bonds, forming inversion dimers enclosing R_{2}^{2}(8) ring motifs, which are linked to form ribbons propagating along the b-axis direction.

Accepted 12 April 2019

Synthesis and crystal structure of a neodymium borosilicate, Nd3BSi2O10

The crystal structure of a lanthanide borosilicate, Nd3BSi2O10, has been determined from laboratory X-ray powder diffraction data. It is composed of [SiO4]4− and [BSiO6]5− anionic layers linked by Nd3+ cations between them.

Accepted 9 April 2019

Crystal structure and Hirshfeld surface analysis of N-(5-iodo-4-phenyl­thia­zol-2-yl)acetamide

The title compound crystallizes with two independent mol­ecules in the asymmetric unit. In the crystal, mol­ecules are linked by N—H⋯O hydrogen bonds, C—H⋯π, I⋯S and I⋯I inter­actions into a three-dimensional network.

Accepted 1 April 2019

Crystallographic analysis of two oxetanocin derivatives, 3-[(6-chloro-8,9-di­hydro-7H-purin-7-yl)meth­yl]cyclo­butan-1-ol and 3-[(6-chloro-9H-purin-9-yl)meth­yl]cyclo­butan-1-ol, and the synthetic inter­mediate 3-[(6-chloro-7H-purin-7-yl)meth­yl]cyclo­butan-1-one

Two oxetanocin A derivatives have been synthesized stereospecifically. The structures of both derivatives and a synthetic inter­mediate were determined and analyzed using X-ray crystallography.


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