16348-02-0Relevant academic research and scientific papers
Spectral and structural studies of N-(2)-pyridylethyl-N'-arylthioureas
Valdés-Martínez,Hernández-Ortega,Ackerman,Li,Swearingen,West
, p. 51 - 59 (2007/10/03)
N-(2-pyridylethyl)-N'-phenylthiourea, triclinic, P-1, a = 8.616(1) ?, b = 9.663(1) ?, c = 9.761(1) ?, α = 102.05(1)°, β = 102.36(1)°, and y = 116.17(1)°, V = 668.5(1) ?3, Z = 2, μ = 2.022 mm-1, N-(2-pyridylethyl)- N'-p-tolylthiourea, triclinic, P-1, a = 8.804(3) ?, b = 9.951(2) ?, c = 10.255(2) ?, α = 115.03(2)°, β = 105.93(2)°, y = 104.04(2)°, V = 713.43(1) ?3, Z = 2, μ = 2.173 mm-1, N-(2-pyridyl-ethyl)-N'-p- bromophenylthiourea, triclinic, P-1, a = 9.536(1) ?, b = 9.809(1) ?, c = 10.042(2) ?, α = 115.88(1)°, β = 96.80(1)°, and y = 110.44(1)°, V = 750.0(6) ?3, Z = 2, μ = 28.73 mm-1, N-(2-pyridylethyl)-N'-p- nitrophenylthiourea, triclinic, P-1, a = 8.046(2) ?, b = 8.602(3) ?, c = 10.938(3) ?, α = 80.74(3)°, β = 89.77(2)°, y = 77.00(3)°, V = 727.6(6) ?3, Z = 2, μ = 2.325 mm-1 and N-(2-pyridylethyl)-N'-p- methoxyphenylthiourea, monoclinic, P21/n, a = 11.526(2) ?, b = 9.723(2) ?, c = 13.460(2) ?, β = 100.49(2)°, V = 1483.3(2) ?3, Z = 4, μ = 1.929 mm- 1. All five molecules possess an intramolecular hydrogen bond between NH and the pyridyl nitrogen, as well as intermolecular hydrogen bonding between N'H and a thione sulfur of a second molecule to form centrosymmetric dimers. Solution 1H NMR studies (CDCl3) show the N'H resonance downfield for each thiourea and its shift, as well as that of NH, is affected by substituents on the phenyl ring. (C) 2000 Elsevier Science B.V.
