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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.
research communications (GM)Crystal structure and Hirshfeld surface of a pentaaminecopper(II) complex with urea and chloride
The title multi-component crystal, [Cu(NH3)5]Cl2·CO(NH2)2, was synthesized from a deep eutectic solvent to yield an unusual pentaaminecopper(II) complex. Hydrogen bonding takes place between chloride ions and both the pentaaminecopper ions and urea molecules.
research communications (GM)Crystal structure of a three-coordinate lithium complex with monodentate phenyloxazoline and hexamethyldisilylamide ligands
The reaction between lithium hexamethyldisilazane, [Li{N(Si(CH3)3)2]} (LiHMDS), with 4,4-dimethyl-2-phenyl-2-oxazoline (Phox) in hexane produced the title complex [Li{N(Si(CH3)3)2}(Phox)2]. The molecule, which crystallizes in the C2/c space group, lies on a twofold rotation axis and the lithium cation adopts a trigonal–planar coordination environment by the coordination, through nitrogen atoms, of one unit of hexamethyldisilazane and two units of Phox, both ligands in a monodentate mode.
research communications (GM)Synthesis, crystal structure and properties of poly[di-μ3-chlorido-di-μ2-chlorido-bis[4-methyl-N-(pyridin-2-ylmethylidene)aniline]dicadium(II)]
The bidentate N,N′-chelating Schiff base ligand L and cadmium(II) chloride create a self-assembled polymeric chain structure [Cd2Cl4(L)]n comprising a defect cubane-like motif.
research communications (GO)Crystal structure and Hirshfeld surface analysis of 3,3′-[ethane-1,2-diylbis(oxy)]bis(5,5-dimethylcyclohex-2-en-1-one) including an unknown solvate
In the crystal, the molecules are connected by C—H⋯O hydrogen bonds in the form of dimers with ![[R_{2}^{2}]](./)
(8) ring motifs, forming zigzag ribbons along the b-axis direction.
research communications (GO)Crystal structure of 4,4′-(disulfanediyl)dipyridinium chloride triiodide
4,4′-Disulfanediyldipyridinium chloride triiodide (1) was synthesized. The structural characterization of 1 by SC-XRD analysis was supported by elemental analysis, FT–IR, and FT–Raman spectroscopic measurements.
research communications (GO)Structural characterization and comparative analysis of polymorphic forms of psilocin (4-hydroxy-N,N-dimethyltryptamine)
This study presents two anhydrous polymorphic forms of psilocin, detailing their crystal structures and hydrogen-bonding differences, with Form II introducing a novel conformation and whole-molecule disorder.
research communications (GO)Structural multiplicity in a multi-component solvated crystal of the antiretroviral protease inhibitor Lopinavir
The multi-component solvated Lopinavir crystal was prepared using evaporative methods. The crystal structure is unusual in that although Lopinavir was crystallized in ethylene glycol (ethane-1,2-diol) alone, the unit cell contains four different components, totalling 18 molecules. The stoichiometric ratio of this crystal is eight lopinavir molecules, two ethane-1,2-diol molecules, one (E)-ethene-1,2-diol (C2H4O2) and seven water molecules.
research communications (GO)Synthesis, crystal structure and Hirshfeld surface analysis of (3Z)-4-[(4-amino-1,2,5-oxadiazol-3-yl)amino]-3-bromo-1,1,1-trifluorobut-3-en-2-one
In the crystal, molecular pairs are connected by N—H⋯N hydrogen bonds, forming dimers with an (8) motif. The dimers are linked into layers parallel to the (10) plane by N—H⋯O hydrogen bonds. In addition, C—O⋯π and C—Br⋯π interactions connect the molecules, forming a three-dimensional network.
research communications (GO)Crystal structure, Hirshfeld surface analysis, calculations of intermolecular interaction energies and energy frameworks and the DFT-optimized molecular structure of 1-[(1-butyl-1H-1,2,3-triazol-4-yl)methyl]-3-(prop-1-en-2-yl)-1H-benzimidazol-2-one
In the title molecule, the benzimidazole entity is almost planar (r.m.s. deviation = 0.0262 Å), while the triazole ring is oriented almost perpendicular to the benzimidazole ring. In the crystal, bifurcated C—H⋯O hydrogen bonds link individual molecules into layers extending parallel to the ac plane.
research communications (GO)Crystal structure and Hirshfeld surface analysis of (Z)-4-oxo-4-{phenyl[(thiophen-2-yl)methyl]amino}but-2-enoic acid
In the crystal, molecules are connected by C—H⋯O hydrogen bonds, forming C(8) chains running along the a-axis direction. Cohesion of the packing is provided by weak van der Waals interactions between the chains.
research communications (GM)Bis(2-chloro-N,N-dimethylethan-1-aminium) tetrachloridocobaltate(II) and tetrachloridozincate(II)
The competition between gauche and anti conformations in 2-chloroethyl- or 3-chloropropyldimethylammonium cations is investigated for the title tetrachlorometallate salts in which the alkyl chain is found to disordered with the gauche conformation dominant.
research communications (GI)High-resolution crystal structure of the double nitrate hydrate [La(NO3)6]2[Ni(H2O)6]3·6H2O
Very large high-quality crystals of a new member of the family of double nitrates, namely, [La(NO3)6]2[Ni(H2O)6]3·6H2O, were crystallized in large amounts. The structure was determined via single-crystal X-ray diffraction to high resolution. Extensive structural information, including hydrogen-bonding details, was obtained at the same time.
