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The Unusual Transformation of an Aromatic 1<Emphasis Type="Italic">H</Emphasis>-Imidazole into a Non-Aromatic 2<Emphasis Type="Italic">H</Emphasis>-Imidazole
Authors:Antonio?de?la?Hoz  Ana?Sánchez-Migallón  María?del?Carmen?Mateo  Pilar?Prieto  Lourdes?Infantes  Email author" target="_blank">José?ElgueroEmail author
Institution:(1) Departamento de Química Inorgánica, Orgánica y Bioquímica, Facultad de Ciencias Químicas, Universidad de Castilla-La Mancha, E-13071 Ciudad Real, Spain;(2) Departamento de Cristalografía, Instituto de Química Física ‘Rocasolano’, Serrano, 119, E-28006 Madrid, Spain;(3) Instituto de Química Médica (C.S.I.C.), Juan de la Cierva 3, E-28006 Madrid, Spain
Abstract: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.
Keywords:Imidazoles  crystal structure  NMR  DFT calculations  aromaticity
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