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 17 April 2025

Crystal structure of a bis-4-aza­tetra­cyclo[5.3.2.02,6.08,10]dodec-11-ene-3,5-dione compound

The crystal structure of the title compound features C=O⋯π inter­actions along with C—H⋯O hydrogen bonds.

Accepted 17 April 2025

Crystal structure of poly[[aqua­(μ2-pyrazine-κ2N:N′)(μ2-2,3,5,6-tetra­chloro­benzene-1,4-di­car­boxyl­ato-κ2O1:O4)copper(II)] hemihydrate]

The CuII ions in this compound form a square-pyramidal coordination environment and are bridged by the Cl4bdc2− and pyz ligands to form a two-dimensional (two-dimensional) layer. The two-dimensional layers are alternately stacked by hydrogen-bonding and C—Cl⋯π inter­actions to form a three-dimensional network.

Accepted 17 April 2025

Synthesis, crystal structure and thermal properties of di­aqua­bis­(4-methyl­pyridine-κN)bis­(thio­cyanato-κN)cobalt(II)

In the title compound, the CoII cations are octa­hedrally coordinated by two N-bonded thio­cyanate anions, two 4-methyl­pyridine ligands and two water mol­ecules into discrete complexes that are linked by O—H⋯S hydrogen bonds into layers. Upon heating, the title compound loses the water mol­ecules and transforms into Co(NCS)2(C6H7N)2, which is already reported in the literature

Accepted 15 April 2025

Synthesis, crystal structure and Hirshfeld surface analysis of 5,5-di­phenyl-3-(prop-2-yn-1-yl)imidazolidine-2,4-dione

The mol­ecular structure and crystal packing of 5,5-diphenyl-3-(2-propyn-1-yl)imidazolidine-2,4-dione were studied using single-crystal X-ray diffraction and Hirshfeld surface analysis..

Accepted 13 April 2025

Crystal structure, Hirshfeld surface analysis and DFT studies of 2-[4-(2-methyl­prop­yl)phen­yl]-N′-[(1Z)-1-(thio­phen-2-yl)ethyl­idene]propane­hydrazide

In the crystal of the title compound, N—H⋯O hydrogen bonds lead to the formation of dimers with an inter­action energy of −70.5 kJ mol−1. The two-dimensional fingerprint plots indicate that the major contributions to the crystal packing are from H⋯H (67.9%), C⋯H (13.7%), O⋯H (7.3%) and S⋯H (4.3%) inter­actions.

Accepted 12 April 2025

Crystal structure, Hirshfeld surface, DFT and mol­ecular docking studies of 4-bromo-2-chlorophenyl (2E)-3-[4-(pent­yloxy)phen­yl]prop-2-enoate

In the title compound, the aromatic rings are oriented at a dihedral angle of 83.30 (8)°. An intra­molecular C—H⋯O contact generates a five-membered S(5) ring motif. In the crystal, C—H⋯O hydrogen bonds link the mol­ecules through R12(6), R22(10), R22(14) hydrogen-bond motifs.

Accepted 9 April 2025

Crystal structure and Hirshfeld surface analysis of ketorolac tromethamine

The mol­ecular and crystal structures of ketorolac tromethamine are reported. In the crystal, mol­ecules are connected by N—H⋯O and O—H⋯O hy­dro­gen bonds, forming a two-dimensional layer in the (100) plane.

Accepted 3 April 2025

Rapid and facile one-step microwave synthesis of macrobicyclic cryptands

Liquid-assisted grinding (LAG) and microwave synthesis are proposed as alternative routes for the synthesis of cryptands, with reaction times of up to 16 times faster than traditional methods.

Accepted 6 March 2025

Synthesis, crystal structure and Hirshfeld surface analysis of 2,2-di­chloro-3,3-dieth­oxy-1-(4-fluoro­phen­yl)propan-1-ol

We have isolated and structurally chracterized 2,2-di­chloro-3,3-dieth­oxy-1-(4-fluoro­phen­yl)propan-1-ol by simple hy­dro­genation of 2,2-di­chloro-3,3-dieth­oxy-1-(4-fluoro­phen­yl)propan-1-one. Hirshfeld surface analysis was performed.


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