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 18 August 2017

Crystal structure of 7β-hy­droxy­royleanone isolated from Taxodium ascendens (B.)

The title compound, 7β-hy­droxy­royleanone, an abietane-type diterpene, was isolated from Taxodium ascendens (B.).

Accepted 16 August 2017

Crystal structures of hibiscus acid and hibiscus acid di­methyl ester isolated from Hibiscus sabdariffa (Malvaceae)

The isolation and crystal structures of the title compounds from Hibiscus sabdariffa (Malvaceae) are described. Hibiscus acid dimethyl sulfoxide monosolvate forms a two-dimensional hydrogen-bonded motif, while hibiscus acid dimethyl ester (Z′ = 2) forms a one-dimensional hydrogen-bonded motif.

Accepted 11 August 2017

Crystal structures of two bi­cyclo­[5.1.0]octa­nes: potassium trans-bi­cyclo­[5.1.0]octane-4-carboxyl­ate monohydrate and cis-bi­cyclo­[5.1.0]octan-4-yl 4-bromo­benzene­sulfonate

The geometry of potassium trans-bi­cyclo­[5.1.0]octane-4-carboxyl­ate monohydrate, a highly strained trans-fused bicyclic ring system, is compared with that of a less-strained cis-bi­cyclo­[5.1.0]octane derivative.

Accepted 9 August 2017

Crystal structure and Hirshfeld surface analysis of aqua­bis­(nicotinamide-κN1)bis­(2,4,6-tri­methyl­benzoato-κO)zinc

In the title Zn complex, the ZnII cation is five-coordinated in a distorted trigonal–bipyramidal geometry. The Hirshfeld surface analysis of the crystal structure indicates that the most important contributions for the crystal packing are from H⋯H (58.4%), H⋯C/C⋯H (20.3%) and H⋯O/O⋯H (18.3%) inter­actions.

Accepted 9 August 2017

Crystal structure and DFT study of (E)-2,6-di-tert-butyl-4-{[2-(pyridin-2-yl)hydrazin-1-yl­idene)meth­yl}phenol

The title Schiff base was synthesized via the condensation reaction of 3,5-di-tert-butyl-4-hy­droxy­benzaldehyde and 2-hydrazinyl­pyridine and crystallized with a single mol­ecule in the asymmetric unit. The conformation about the C=N bond is E. In the crystal, N—H⋯N hydrogen bonds connect pairs of mol­ecules into dimers. In addition, weak C—H⋯O hydrogen bonds and C—H⋯π inter­actions are observed.

Accepted 8 August 2017

2-Adipato-κ4O,O′:O′′,O′′′)bis­[aqua­(benzene-1,2-di­amine-κ2N,N′)­chlorido­cadmium]: crystal structure and Hirshfeld surface analysis

In the centrosymmetric binuclear title compound, the CdII atoms are linked by a μ2-adipate dianion; the distorted octa­hedral geometry of the metal ion is defined by a ClN2O3 donor set.

Accepted 7 August 2017


The characteristic feature of this cadmium(II) complex is the formation of a dimeric bridged structure where the two CdII cations are bridged by S atoms from the N,N-di­allyl­ldi­thio­carbamate ligands.

Accepted 30 July 2017

Crystal structure and Hirshfeld surface analysis of pulcherrin J

The natural diterpene known as pulcherrin J was isolated from stem barks of medicinally important Caesalpinia pulcherrima (L.). The mol­ecule is composed of a central core of three trans-fused cyclo­hexane rings and a near planar five-membered furan ring, along with an axially oriented cinnamate moiety and a­hydroxyl substituent attached to the C-8 and C-9 positions of the steroid ring system, respectively. Hirshfeld surface analysis indicates that the most significant contacts in packing are H⋯H (67.5%), followed by C⋯H (19.6%) and H⋯O (12.9%).

Accepted 26 July 2017

Crystal structure of 1-[2-(4-nitro­phen­yl)-4,5-di­phenyl-1H-imidazol-1-yl]propan-2-ol

The mol­ecular and crystal structure of the title imidazole derivative is reported. The structure features an extensive O—H⋯N, C—H⋯O/N and C—H⋯π(ring) hydrogen-bonding network.

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