Structure and Hydrogen Bonding of Solid N
نویسندگان
چکیده
Crystalline N-alkyl-N-arylthioureas with ortho hydroxyl and para or meta methyl substituents to the phenyl ring were studied by single crystal X-ray diffraction, IR and solid state C CP MAS NMR. Two different modes of association were found: i) intermolecular NH...S bonds and NH not involved in hydrogen bonding in N-methyl-N(2-hydroxy,5-methylphenyl)thiourea 1, ii) cyclic dimers with two NH...S hydrogen bonds (S...N distance of 3.322 Å) and NH engaged in intermolecular NH...O bond in N-methyl-N-(2-hydroxy,4-methylphenyl)thiourea 2. Changes of carbon chemical shifts between solution and solid state result mainly from the reorientation of the aromatic ring with respect to the thiourea fragment.
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