Aspects of structural thiohydroxamate chemistry—on a systematic in the 5-(p-methoxyphenyl)-4-methylthiazole-2(3H)-thione series

Bond angles at thiohydroxamate oxygen in crystal structures of 3-alkoxy-5-(p-methoxyphenyl)-4-methylthiazole-2(3H)-thiones gradually increased with the size of the 3-alkoxy substituent. This effect was attributed to strain on the basis of (i) a linear free energy relationship (Taft-Dubois correlation) and (ii) signal coalescence from resonances of diastereotopic CH₃ groups in solution (O-cumyl substituent; DNMR). Substitution at oxygen along the sequence OR (R=prim-, sec-, and tert-alkyl), OH, and OLi was reflected in a gradual decrease of N,O distances and lengthening of associated C,S bonds. The responsivity for these changes was more pronounced in the thiazole-2(3H)-thione than in the pyridine-2(1H)-thione series.     

Die Konformation cyclischer Tri- und Hexapeptide

Ohne Zusammenfassung

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The conformation of cyclic tri- and hexapeptides

     

A new ferroelectric compound: Methylammonium trichloromercurate (CH3NH3HgCl3)

Measurements of the dielectric constants revealed a ferro- to paraelectric transition in methylammonium trichloromercurate (CH₃NH₃HgCl₃). Thermal analysis by differential scanning calorimetry indicates a transition temperature of Tc ≈ 60°C. The structures of both phases were determined from single crystal X-ray measurements. The ferroelectric phase crystallizes at room temperature in the polar trigonal space group $\text{P}\text{3}{}_2\text{(a = b =}\text{7.8117(3)}\text{, c =}\text{9.826(3)}\text{A}\text{?}\text{, Z =}\text{3}\text{)}$. The refinement of the ferroelectric structure included the fractional contribution of the two domains present. The paraelectric phase has monoclinic symmetry (space group C2 with $\text{a =}\text{13.816(2)}\text{, b =}\text{7.880(1)}\text{, c =}\text{9.734(3)}\text{A}\text{?}\text{, β =}\text{90.49(5)°}\text{, Z =}\text{6}\text{)}$ and contains an almost completely disordered methylammonium group while order with pronounced thermal motion is observed in the ferroelectric phase.     

Neutron diffraction determination of the magnetic structure of Dy PO4

Dy PO₄ is antiferromagnetically ordered below 3.39 K. The spin-structure is described by an antiparallel arrangement of nearest neighbours along the crystallographic c-axis. The magnetic moment at 1.8 K is (9.0±0.3) μ_β. These results confirm that Dy PO₄ may be considered as an ideal three-dimensional Ising system.