Abstract

VALDES-MARTINEZ, Jesús et al. Crystal and Molecular Structure of N-2-Pyridylethyl-N'-3-Tolylthiourea. Rev. Soc. Quím. Méx [online]. 2004, vol.48, n.4, pp.235-238. ISSN 0583-7693.

The crystal and molecular structure of N-2-pyridylethyl-N'-3- tolylthiourea, 1, was determined. 1 crystallizes as triclinic, P-1, a = 9.024(2) Å, b = 9.718(3) Å, c = 9.765(4) Å, α = 102.26(3)°, β = 114.18(3)°, γ = 103.12(2)°, V = 714.4(4) ų, Z = 2. Both thiourea N-H groups form intermolecular hydrogen bonds, N'H with the thione sulfur atom and the NH with the pyridine nitrogen. When compared with other N-2-pyridylethyl-N'-arylthioureas it is observed that the centro-symmetric N'H⋯S hydrogen bond is always present and the NH⋯N always H-bonds to the pyridine N atom but in some cases as an intramolecular H-bond and in the other as an intermolecular H-bond. This difference may be due to variables introduced by the flexibility of the molecules, whose effects on the crystal packing can not be predicted.

Keywords : Hydrogen bonds; thioureas; X Ray.

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