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 16 October 2017

Crystal structure of a looped-chain CoII coordination polymer: catena-poly[[bis­(nitrato-κO)cobalt(II)]bis­[μ-bis­(pyridin-3-ylmeth­yl)sulfane-κ2N:N′]

The reaction of cobalt(II) nitrate with bis­(pyridin-3-ylmeth­yl)sulfane ligand, afforded a one-dimensional looped polymeric chain. The CoII cation displays a distorted octa­hedral geometry coordinated by four pyridine N atoms from four individual ligands and two O atoms from two monodentate nitrate anions. Two symmetry-related ligands are connected by two symmetry-related CoII cations, forming a 20-membered cyclic dimer. These cyclic dimers are connected to each other by sharing CoII atoms, forming a looped chain. In the crystal, adjacent looped chains are connected by inter­molecular π–π stacking inter­actions and C—H⋯π and C—H⋯O hydrogen bonds, resulting in the formation of a three-dimensional supra­molecular architecture.

Accepted 14 October 2017

Crystal structure of the co-crystalline adduct 1,3,6,8-tetra­aza­tri­cyclo­[4.4.1.13,8]do­decane (TATD)–4-iodo­phenol (1/2): supra­molecular assembly mediated by halogen and hydrogen bonding

In the crystal of the ternary co-crystalline adduct, the components inter­act through two inter­molecular O—H⋯N hydrogen bonds. The supra­molecular adducts are inter­linked through of halogen bonds and weak non-conventional hydrogen bonds.

Accepted 13 October 2017

Unusual thermolysis of aza­cyclic allene under microwave conditions: crystal structure of (3RS,3aSR,8RS,8aRS)-methyl 5,6-dimeth­oxy-3a,10-di­methyl-1-phenyl-3,3a,8,8a-tetra­hydro-3,8-(epimino­methano)­cyclo­penta­[a]indene-2-carboxyl­ate from synchrotron X-ray diffraction

The structure of methyl 5,6-dimeth­oxy-3a,10-dimethyl-1-phenyl-3,3a,8,8a-tetra­hydro-3,8-(epimino­methano)­cyclo­penta­[a]indene-2-carboxyl­ate, the product of unusual thermolysis of aza­cyclic allene under microvawe conditions, was studied by synchrotron X-ray diffraction.

Accepted 12 October 2017

Crystal structure of a CoII coordination polymer with a di­pyridyl ligand: catena-poly[[bis­(nitrato-κ2O,O′)cobalt(II)]-μ-N-(pyridin-2-ylmeth­yl)pyridine-3-amine-κ3N,N′:N′′]

The CoII atom in the title compound is seven-coordinate, being bound to two pyridine N atoms, one amine N atom and four O atoms to form a distorted penta­gonal–bipyramidal environment. Each dipyridyl-type ligand links the CoII atoms into polymeric zigzag chains, which are connected via inter­molecular π–π stacking inter­actions and N/C—H⋯O hydrogen bonds.

Accepted 12 October 2017

A 2:1 co-crystal of 3,5-di­bromo-4-cyano­benzoic acid and anthracene

The title cyano acid forms a honeycomb-like sheet structure, six mol­ecules circumscribing anthracene, with carb­oxy hydrogen-bonded dimers linked by half of the possible R_{2}^{2}(10) CN⋯Br rings.

Accepted 12 October 2017

Crystal structure of bis­[bis­(4,4′-di­aza­niumylphen­yl) sulfone] tetra­nitrate monohydrate

The synthesis and structural determination of bis­(4,4′-di­ammonio­diphen­yl)sulfone tetra­(nitrate) monohydrate is reported. The crystal structure features N—H⋯O, O—H⋯O and C—H⋯O hydrogen-bonds and π–π inter­actions.

Accepted 12 October 2017

Crystal structure of poly[tetra-μ-cyanido-ethanol­bis­(2-iodo­pyrazine)­digold(I)iron(II)]

The di­cyano­aurate anions bridge the FeII cations to form polymeric chains propagating along the b axis.

Accepted 11 October 2017

Synthesis and crystal structures of two purpurin derivatives: 1,4-dihy­droxy-2-propoxyanthra­quinone and 2-but­oxy-1,4-di­hydroxy­anthra­quinone

The title compounds were obtained by deprotonation of 1,2,4-tri­hydroxy­anthra­quinone (purpurin) using sodium hydride followed by reaction with either 1-bromo­propane or 1-bromo­butane. The compounds were characterized by 1H and 13C NMR and the structures determined using single-crystal X-ray diffraction.

Accepted 11 October 2017

4-Benzyl-1-(4-nitro­phen­yl)-1H-1,2,3-triazole: crystal structure and Hirshfeld analysis

In the title compound, the 1,2,3-triazoyl ring is flanked by nitro­benzene and benzyl substituents with the dihedral angle of 70.60 (9)° between rings indicating a twisted L-shape for the mol­ecular conformation.

Accepted 10 October 2017

Crystal structure of (1R,5S)-endo-(8-methyl-8-azoniabi­cyclo­[3.2.1]oct-3-yl)ammonium aqua­tri­chlorido­nitratocopper(II)

The title compound is a salt containing a protonated endo-3-amino­tropane cage and a novel anionic copper(II) complex, [CuCl3(NO3)(H2O)]2−.

Accepted 10 October 2017

Crystal structure of {2,6-bis­[(di­methyl­amino)­meth­yl]phenyl-κ3N,C1,N′}(bromido/chlorido)­mercury(II)

The structure of C12H19Br0.30Cl0.70HgN2·C12H19Br0.24Cl0.76HgN2 contains two mol­ecules in the asymmetric unit with each containing a mixed Cl/Br halide site. The two mol­ecules are linked into dimers by a combination of Hg⋯Hg [Hg⋯Hg = 3.6153 (3) Å] and C—H⋯Cl and C—H⋯π inter­actions.

Accepted 10 October 2017

Crystal structure of 2,4,6-tri­methyl­benzoic anhydride

The title compound was isolated as a by-product from a reaction incorporating 2,4,6-tri­methyl­benzoic acid under basic conditions.

Accepted 10 October 2017

Crystal structure of (E)-4-methyl-N-{2-[2-(4-nitro­benzyl­idene)hydrazin-1-yl]-2-oxoeth­yl}benzene­sulfonamide N,N-di­methyl­formamide monosolvate

The title Schiff base mol­ecule displays a trans configurations with respect to the C=N double bond. Inter­molecular N—H⋯O and C —H⋯O hydrogen bonds connect centrosymmetrically related mol­ecules into dimers, forming rings of R_{3}^{3}(11) and R_{2}^{2}(10) graph-set motif stacked along the a axis into a columnar arrangement.

Accepted 10 October 2017

4-(4-Hy­droxy­phenyl)-2,2,4-tri­methyl-7,8-benzo­thia­chroman, a fused-ring counterpart of thia-Dianin's compound

In the title compound, both independent mol­ecules possess a very similar proximal conformation, this referring to the juxtaposition of the 4-hy­droxy­phenyl substituent with respect to the syn-related methyl group.

Accepted 10 October 2017

Crystal structure of aqua­(perchlorato)bis­[μ-(E)-2-({[2-(pyridin-2-yl)eth­yl]imino}­meth­yl)phenolato-κ3N,O:O]dicopper(II) perchlorate

The title compound crystallizes as an unsymmetrical dinuclear cation bridged by the phen­oxy O atoms with one Cu atom coordinated by a water mol­ecule and the other by a perchlorate anion, thus making both Cu atoms five-coordinate, and with a further perchlorate anion present for charge balance.

Accepted 10 October 2017

Zwitterionic 1-{(1E)-[(4-hy­droxy­phen­yl)iminio]meth­yl}naphthalen-2-olate: crystal structure and Hirshfeld surface analysis

The title zwitterion exists in the iminium/phenoxide form. The mol­ecule is twisted around the N—C(benzene) bond with the C=N—C—C torsion angle being 39.42 (8)°. In the crystal, a zigzag supra­molecular chain is sustained by charge-assisted hy­droxy-O—H⋯O(phenoxide) hydrogen bonding.

Accepted 9 October 2017

Crystal structure of akuammicine, an indole alkaloid from Catharanthus roseus

The structure of akuammicine, an alkaloid isolated from the Madagascar periwinkle, was confirmed and its absolute configuration determined.

Accepted 9 October 2017

2-Bis(di­phenyl­phosphan­yl)hexa­ne]bis­(undeca­carbonyl­triruthenium) hexane monosolvate: crystal structure and Hirshfeld surface analysis

The title crystal features two Ru3(CO)11 fragments linked by a Ph2P(CH2)6PPh2 bridge, the latter with an all-trans conformation. The mol­ecular packing features C—H⋯O, as well as C≡O⋯π(arene) inter­actions.

Accepted 7 October 2017

Crystal structure of (Z)-N-benzyl­idene-1-phenyl­methanamine oxide hydrogen peroxide monosolvate

The title structure consists of a (Z)-N-benzyl­idene-1-phenyl­methanamine oxide and a hydrogen peroxide mol­ecule linked through both O—H groups into a one-dimensional chain structure.

Accepted 29 September 2017

Hybrid organic–inorganic crystal structure of 4-di­methyl­amino­pyridinium di­methyl­ammonium tetra­chlorido­lead(II)

The crystal structure of this hybrid organic–inorganic material exhibits chains of lead chloride capped by 4-di­methyl­amino­pyridinium and di­methyl­ammoium by hydrogen bonding. This creates a one-dimensional zipper-like structure down the a axis.


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