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 19 October 2016

Crystal structure of a compact three-dimensional metal–organic framework based on Cs+ and (4,5-di­cyano-1,2-phenyl­ene)bis­(phospho­nic acid)

The three-dimensional metal–organic framework compound prepared from Cs+ and the organic linker 4,5-di­cyano-1,2-phenyl­ene)bis­(phospho­nic acid is based on an irregular CsO8N2 coordination center comprising a single monodentate hydro­nium O-atom donor, together with multiple bridging links to the two phospho­nate O-atom donors and to the two nitrile N-atom donors.

Accepted 19 October 2016

Crystal structures of 2′-benzoyl-1′-(4-methyl­phen­yl)-1,1′,2,2′,5′,6′,7′,7′a-octa­hydro­spiro­[indole-3,3′-pyrrolizine]-2-one and 2′-[(4-bromo­phen­yl)carbon­yl]-1′-(2-chloro­phen­yl)-1,1′,2,2′,5′,6′,7′,7′a-octa­hydro­spiro­[indole-3,3′-pyrrolizine]-2-one

The chemical modifications in terms of changes in substituents in the title compounds have not affected the type nor strength of two defining inter­molecular inter­actions present in both crystal structures.

Accepted 19 October 2016

Crystal structure of 2,4-di-tert-butyl-6-hy­droxy­methyl­phenol

The crystal structure of 2,4-di-tert-butyl-6-hy­droxy­methyl­phenol is presented.

Accepted 19 October 2016

Crystal structure and Hirshfeld surface analysis of 1-carb­oxy-2-(3,4-di­hydroxy­phen­yl)ethan-1-aminium chloride 2-ammonio-3-(3,4-di­hydroxy­phen­yl)propano­ate: a new polymorph of L-dopa HCl and isotypic with its bromide counterpart

The crystal structure of new monoclininc polymorph of L-dopa HCl is reported, and hydrogen-bonding inter­actions are discussed.

Accepted 18 October 2016

Crystal structure of 9-(di­bromo­meth­yl)-1,1-di­fluoro-3,7-di­methyl-1H-[1,3,5,2]oxadi­aza­borinino[3,4-a][1,8]naphthyridin-11-ium-1-uide

The mol­ecule in the title compound, C12H10BBr2F2N3O, exhibits point group symmetry m.

Accepted 18 October 2016

Crystal structure of catena-poly[[(N,N-di­ethyl-3-mesitylsulfonyl-1H-1,2,4-triazole-1-carboxamide-κN1)silver(I)]-μ-nitrato-κ3O,O′:O]

The asymmetric unit of the title compound comprises one cafenstrole ligand mol­ecule and one silver nitrate ion. The coordination bonds between silver and oxygen atoms allow a continuous one-dimensional coordination polymer structure along [001]. The three-dimensional architecture is stabilized by C—H⋯O hydrogen bonds and C—H⋯π inter­actions

Accepted 18 October 2016

Channels with ordered water and bi­pyridine mol­ecules in the porous coordination polymer {[Cu(SiF6)(C10N2H8)2]·2C10N2H8·5H2O}n

The structure of a [Cu(SiF6)(C10H8N2)2]n coordination polymer with ordered 4,4′-bi­pyridine and water mol­ecule channels is described.

Accepted 18 October 2016

Mechanochemical synthesis and crystal structure of a 1:2 co-crystal of 1,3,6,8-tetra­aza­tri­cyclo[,8]undecane (TATU) and 4-chloro-3,5-di­methyl­phenol

In the crystal, the 1:2 co-crystalline adducts are linked by π–π stacking inter­actions.

Accepted 17 October 2016

Crystal structures of di[(μ-bromido)(η5-2-di­methyl­amino­inden­yl)di­bromido­zirconium(IV)] and bis­(η5-2-di­methyl­amino­inden­yl)di­bromido­zirconium(IV)

Mol­ecules of di[(μ-bromido)(η5-2-di­methyl­amino­inden­yl)di­bromido­zirconium(IV)], (I), and bis­(η5-2-di­methyl­amino­inden­yl)di­bromido­zirconium(IV), (II), are dinuclear with one CP ligand and four Br ligands for each of the ZrIV atoms and mononuclear with two CP and two Br ligands for the ZrIV atom, respectively.

Accepted 17 October 2016

Crystal structure of catena-poly[bis­(tetra­ethyl­ammonium)[[di­aqua­(μ-dicyanamido-κN1)cobaltate(II)]-μ-dicyanamido-κ2N1:N5-[di­aqua­(μ-dicyanamido-κN1)cobaltate(II)]-di-μ-dicyanamido-κ4N1:N5] dicyanamide]

The title structure comprises a cation-templated anionic CoII-dicyanamide network composed of μ1,5-dicyanamide-bridged CoII chains inter-connected via μ1,5-dicyanamide bridges.

Accepted 17 October 2016

Crystal structure of the 1:2 co-crystal of 1,3,6,8-tetra­aza­tri­cyclo­[,8]undecane (TATU) and 4-chloro­phenol (1/2)

The components of the ternary co-crystalline adduct are linked by inter­molecular O–H⋯N hydrogen bonds.

Accepted 16 October 2016

Crystal structure of 1,2-bis­(6-bromo-2H-benzo[e][1,3]oxazin-3(4H)-yl)ethane: a bromine-containing bis-benzoxazine

The solid-state structure of a 4-bromo­benzoxazine has been determined. The whole mol­ecule of the title compound is generated by inversion symmetry. This is a potential benzoxazine monomer for the preparation of phenolic materials.

Accepted 15 October 2016

Crystal structure and Hirshfeld surface analysis of 2-{[2,8-bis­(tri­fluoro­meth­yl)quinolin-4-yl](hy­droxy)meth­yl}piperidin-1-ium 2-hy­droxy-2-phenyl­acetate hemihydrate

The L-shaped cations in the centrosymmetric title salt are related across a non-crystallographic centre of inversion. In the crystal, hydrogen-bonded layers are linked by π–π and C—H⋯F⋯π inter­actions.

Accepted 13 October 2016

Crystal structure of poly[di­chlorido­(μ-2,5-di­carb­oxy­benzene-1,4-di­carboxyl­ato-κ2O1:O4)bis­[μ-4′-(pyridin-3-yl)-4,2′:6′,4′′-terpyridine-κ2N1:N4]dizinc]

Both the 2,5-di­carb­oxy­benzene-1,4-di­carboxyl­ate dianions and pyridyl-terpyridine ligands bridge the ZnII atoms, forming a ladder-like polymeric complex.

Accepted 11 October 2016

Crystal structure of N,N,N-tri­ethyl­hydroxyl­ammonium chloride

The cation and anion in N,N,N-tri­ethyl­hydroxyl­ammonium chloride are linked by an O—H⋯Cl hydrogen bond. The extended structure displays C—H⋯Cl and C—H⋯O hydrogen bonds, resulting in layers lying parallel to the (100) plane: further C—H⋯Cl contacts connect the sheets into a three-dimensional network.

Accepted 1 October 2016

Crystal structure of di-μ-chlorido-bis­[chlorido­bis­(1,2-di­methyl-5-nitro-1H-imidazole-κN3)copper(II)] aceto­nitrile tetrasolvate

1,2-Dimethyl-5-nitro­imidazole (dimetridazole, dimet) reacts with copper(II) chloride to give dinuclear [Cu(dimet)2(μ-Cl)Cl]2, in which each copper moiety is coordinated to two dimet ligands in a trans arrangement.

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