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Journal logoCRYSTALLOGRAPHIC
COMMUNICATIONS
ISSN: 2056-9890

January 2022 issue

Highlighted illustration

Cover illustration: The unnatural β-amino acid baclofen can be used to treat spastic movement disorders or alcohol dependence and is applied as a racemic mixture. New synthetic routes towards the active (R)-enantiomer now make it possible to determine its molecular and crystal structure. Strong N—H ⋯O/Cl and C—H⋯Cl/π interactions connect the zwitterionic molecules. See: Belov, Villinger & von Langermann [Acta Cryst. (2022). E78, 33–35].

Jerry P. Jasinski tribute


research communications


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The pyridazine ring in the mol­ecule of the title compound adopts a screw-boat conformation. The whole mol­ecule is flattened, the dihedral angles subtended by the least-suares plane of the central aromatic ring with those of the terminal benzene and pyridazine rings being 15.18 (19) and 11.23 (19)°, respectively. In the crystal, the mol­ecules are linked by pairs of N—H⋯O bonds into centrosymmetric dimers and by C—H⋯π contacts into columns.

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In the crystal, the mol­ecules are linked by C—H⋯N and C—H⋯O hydrogen bonds into strips, which are connected by F⋯F contacts into layers.

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A dicationic PdII dimer containing a [2-(methyl­enphosphan­yl)-8-thiol­ate­quinoline] pincer ligand was isolated and its crystal structure determined.

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The mol­ecular and crystal structures of two di­hydro­furylsilanes are reported. A Hirshfeld surface analysis was performed to investigate the inter­molecular inter­actions.

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3-(Hy­droxy­meth­yl)-3-methyl-2,6-di­phenyl­piperidin-4-one was synthesized by condensing 4-hy­droxy-3-methyl-2-butanone with the benzaldehyde and ammonium acetate. In the crystal, the mol­ecules are linked by O—H⋯O and C—H⋯O hydrogen bonds into double ribbons.

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The first single-crystal XRD-based structure of enanti­opure (R)-baclofen, a commonly used spasmolytic drug, without any co-crystallized mol­ecules is reported in this article.

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N,N,N′,N′-tetra­methyl­ethanedi­amine, C6H16N2, crystallizes in the monoclinic crystal system in the space group P21/c. For the investigation of the conformation, quantum chemical methods were used and for inter­molecular inter­actions, a Hirshfeld surface analysis was performed.

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[UO2(acac)2(H2O)] is constructed from one uran­yl(VI) unit, two monoanionic acetyl­acetonate (acac) ligands and one aqua ligand. The U atom exhibits a UO7 distorted penta­gonal–bipyramidal coordination geometry; four O atoms from two chelating bidentate acac ligands and one O atom of a aquo ligand (Ow) form the equatorial plane while two uran­yl(VI) O atoms are located at the axial positions.

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The air- and moisture-sensitive title compound was synthesized from tris­(cyclo­penta­dien­yl)(tetra­hydro­furan)­terbium and 2-{[(2-meth­oxy­phen­yl)imino]­meth­yl}phenol. Each Tb atom is coordinated by two cyclo­penta­dienyl ligands in an η5-coordination mode and by one N and two O atoms of the organic ligand in a tridentate κ3O,N,O′-mode.

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The crystal structure of the title compound comprises two independent mol­ecules that mainly differ in the orientation of the phenyl ring to the rest of the mol­ecule.

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The title compound, a salt form of (E)-2-benzyl-1,3-di­phenyl­iso­thio­uronium iodide, was prepared by the reaction of 1,3-di­phenyl­thio­urea and benzyl iodide. In the crystal, N—H⋯I hydrogen bonds link the components into [100] chains.

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The condensation products of the o-, m- and p- isomers of amino­benzoic acid and 3-formyl­aceylacetone were synthesized and structurally characterized. As a result of the different substitution patterns, their crystal structures are governed by different types of hydrogen-bonding motifs.

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Three crystal structures from the reaction of 2,6-di­methyl­phenyl isocyanide with bis­(anthracene)ferrate(−1) are presented.

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The crystal structure of both compounds consists of discrete complexes with terminal N-bonded thio­cyanate anions in which the Co cations are sixfold coordinated within slightly distorted octa­hedra, which are linked by inter­molecular hydrogen bonding, in one compound via additional urotropine solvate mol­ecules, into three-dimensional networks.

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The crystal structure of the title compound consists of discrete tetra­hedral complexes, which are linked by inter­molecular N—H⋯S and C—H⋯S hydrogen bonding into chains.

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The short RERE inter­atomic distance is a common structural feature of rare-earth trirhodium diborides RERh3B2 (Pr, Nd, and Sm). The crystal-structure redeterminations using single-crystal X-ray data revealed that the displacement ellipsoids of Rh and RE atoms elongated along the c axis are attributed to the unusually short RERE inter­atomic distances. Moreover, the anisotropic ellipsoids of Rh and RE could be associated with the appearance of disordered La1–xRh3B2-type and/or Nd1–xRhxRh3B2-type structures.

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The title compound was synthesized by a new method at the inter­phase of aqueous solutions of LiOH and penta­fluoro­phenyl­aceto­nitrile. In the crystal, hydrogen bonds and π–halogen inter­actions connect the mol­ecules into double layers. The Hirshfeld surfaces of analogues of the title compound were compared and the effect of perfluorination on the crystal packing was shown.

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The title compound is a Schiff base that exists in the phenol–imine tautomeric form. The mol­ecular structure is stabilized by an O—H⋯N hydrogen bond, forming an S(6) ring motif.


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A new potentially chelating bulky bis­(alkoxide) exhibits anti conformation of the O-atom donors in the solid state and does not form transition-metal complexes.

addenda and errata


Research communications

Research communications are designed to help authors bring out the science behind their structure determinations. Authors are encouraged to report more than one structure in the same communication and also to include the results of investigations with other techniques. The Research communications format makes Acta E the natural home for structure determinations with interesting science to report.

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