Redetermination of 1-cyclohexyl-3-(2-furoyl)thiourea
Por:
Duque J., Estévez O., Jancik V., Yee-Madeira H.
Publicada:
1 may 2010
Resumen:
The title compound, C(12)H(16)N(2)O(2)S, was synthesized from furoyl isothiocyanate and cyclohexylamine in dry acetone, and the crystal structure redetermined. The thiourea group is in the thioamide form. The structure [Otazo-Sanchez et al. (2001). J. Chem. Soc. Perkin Trans. 2, pp. 2211-2218] has been redetermined in order to establish the intra- and intermolecular interactions. The trans-cis geometry of the thiourea group is stabilized by intramolecular hydrogen bonding between the carbonyl and cis-thioamide groups, resulting in a pseudo-S(6) planar ring which makes a dihedral angle of 3.24 (6)degrees with the 2-furoyl group and a torsion angle of -84.3 (2)degrees with the cyclohexyl group. There is also an intramolecular hydrogen bond between the furan O atom and the other thioamide H atom. In the crystal structure, molecules are linked by intermolecular N-H center dot center dot center dot O hydrogen bonds, forming chains along [010].
Filiaciones:
Duque J.:
Instituto de Ciencia y Tecnología de Materiales, Universidad de La Habana, Cuba
Estévez O.:
Instituto de Ciencia y Tecnología de Materiales, Universidad de La Habana, Cuba
Jancik V.:
Univ Nacl Autonoma Mexico, Inst Quim, Mexico City, DF, Mexico
Yee-Madeira H.:
Escuela Superior de Física y Matemática, IPN, Mexico
Gold
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