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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 (GO)research communications (GO)Synthesis and structure of 1′,4′-diphenyl-1a,1′,4′,4′′,5′′,9b-hexahydro-2′′H-dispiro[cyclopropa[l]phenanthrene-1,2′-[1,4]epoxynaphthalene-3′,3′′-thiophene]
The title compound was inadvertently prepared as a Diels–Alder adduct between 1,3-diphenylisobenzofuran and 3-(1a,9 b-dihydro-1H-cyclopropa[l]phenanthren-1-ylidene)tetrahydrothiophene. A combination of fused, bridged, and spirocyclic ring systems are all featured within a single molecular structure of this highly crowded polycyclic compound.
research communications (GO)Crystal structure of chloromethyl 2-[2-(2,6-dichlorophenylamino)phenyl]acetate
The previously unknown molecular SCXRD structure and crystal-packing pattern of a diclofenac derivative were assessed in detail including intra- and intermolecular interactions such as hydrogen bonds and halogen bonds. The validity of these interactions was further evaluated computationally using QM calculations.
research communications (GO)Synthesis and structure of (E)-3,4,5-trihydroxy-N′-(3,4,5-trimethoxybenzylidene)benzohydrazide monohydrate
In the structure of the title compound, C17H18N2O7·H2O, relatively strong bifurcated and simple hydrogen-bond interactions are present, together with extended van der Waals interactions. A hydrogen-bond coordination analysis suggests that polymorphs of the title structure may exist.
research communications (GM)Bis(μ-thiosemicarbazide-κ3N1,S:S;κ3S:N1,S)bis[(dimethylformamide-κO)(thiosemicarbazide-κ2N1,S)cadmium(II)] tetrakis(2,4,6-trinitrophenolate): synthesis, crystal structure and Hirshfeld surface analysis
The complete binuclear cation of the title complex salt is generated by a crystallographic center of symmetry and features bridging S atoms.
research communications (GM)Phenyl palladium(II) iodide complexes isolated after Sonogashira coupling of iodobenzenes with terminal alkynes
The structure of four bis(triphenylphosphine)phenylpalladium(II) iodides isolated after completion of Sonogashira coupling reactions, in which the aryl iodide was used in slight excess, are reported.
research communications (GO)Synthesis, crystal structure and Hirshfeld surface analysis of Fmoc-β-amino butyric acid and Fmoc carbamate
In the context of the development of synthetic routes that facilitate the incorporation of β-amino acids into peptide synthesis, the synthesis, crystal structure and Hirshfeld surface analysis are reported of fluorenylmethoxycarbonyl (Fmoc) protected β-amino butyric acid. The importance of pH control in the reaction employing Fmoc-N3 is demonstrated with another β-amino acid analogue from which Fmoc carbamate was identified as the major product.
research communications (GI)Orthorhombic cerium(III) carbonate hydroxide studied by synchrotron powder X-ray diffraction
A synchrotron powder X-ray diffraction study of commercially obtained ‘cerium(III) carbonate hydrate' indicates that multiple Ce-containing phases coexist, none of which are Ce2(CO3)3. The majority phase is an orthorhombic phase of composition CeCO3OH.
research communications (GO)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.
