Magnetotropicity of five-membered heterocyclic molecules

Ab initio methods have been employed to obtain models for the current density field induced in the electrons of pentatomic cyclic molecules C₄H₄X, with X = CH₂, NH, O, S, PH, and AsH, in the presence of a static, homogeneous magnetic field normal to the plane containing the four ring carbon atoms. These models are expected to provide simple and valid tools to assess the magnetotropism of these compounds and to interpret their magnetic response.     

The Unusual Transformation of an Aromatic 1<Emphasis Type="Italic">H</Emphasis>-Imidazole into a Non-Aromatic 2<Emphasis Type="Italic">H</Emphasis>-Imidazole

2H-Imidazole derivative 5 has been synthesized and characterized by the X-ray diffraction (XRD) method. The compound crystallizes in the monoclinic space group Cc with cell parameters a = 19.398(1), b = 8.890(1), c = 10.247(1), β = 110.76(1), Z = 4. The molecules are inter-linked through C–H⋅sO and C–H⋅sπ interactions forming infinite chains.