Structure and Hydrogen Bonding of Solid N1-Alkyl-N2-(2-hydroxy, 4- or 5-methylphenyl)thioureas

• Autorzy: Wawer I. , Anulewicz-Ostrowska R. , Maciejewska D. , Koleva V.
• Języki publikacji: EN

Abstrakty

EN

Crystalline N1-alkyl-N2-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 13C cP MAS NMR. Two different modes of association were found: i) intermolecular N1H...S bonds and N2H not involved in hydrogen bonding in N1-methyl-N2-(2-hydroxy, 5-metylphenyl)thuiourea 1, ii) cyclic dimers with two N2H...S hydrogen bonds (S...N2 distance of 3.332 A) and N1H engaged in intermolecular N1H...O bond in N1-methyl-N2-(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 fragent.

Słowa kluczowe

EN

hydrogen bond; crystal structure; IR spectra; NMR spectra; association; semiempirical calculations

• Wydawca: Polskie Towarzystwo Chemiczne
• Czasopismo: Polish Journal of Chemistry
• Rocznik: 2000
• Tom: Vol. 74, nr 6
• Strony: 823--835

Twórcy

autor

Wawer I.

autor

Anulewicz-Ostrowska R.

autor

Maciejewska D.

autor

Koleva V.

• Department of Physical Chemistry Faculty of Pharmacy Medical University of Warsaw Banacha 1, 02-097 Warsaw