Spectral and structural studies of N-(2)-pyridylethyl-N '-arylthioureas

Citation
J. Valdes-martinez et al., Spectral and structural studies of N-(2)-pyridylethyl-N '-arylthioureas, J MOL STRUC, 524, 2000, pp. 51-59
Citations number
7
Language
INGLESE
art.tipo
Article
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
JOURNAL OF MOLECULAR STRUCTURE
ISSN journal
0022-2860 → ACNP
Volume
524
Year of publication
2000
Pages
51 - 59
Database
ISI
SICI code
0022-2860(20000613)524:<51:SASSON>2.0.ZU;2-9
Abstract
N-(2-pyridylethyl)-N'-phenylthiourea, triclinic, P-1, a = 8.616(1) Angstrom , b = 9.663(1) Angstrom, c = 9.761(1) Angstrom, alpha = 102.05(1)degrees, b eta = 102.36(1)degrees, and gamma = 116.17(1)degrees, V = 668.5(1) Angstrom (3), Z = 2, mu = 2.022 mm(-1), N-(2-pyridylethyl)-N'-p-tolylthiourea, tricl inic, P-1, a = 8.804(3) Angstrom, b = 9.951(2) Angstrom, c = 10.255(2) Angs trom, alpha = 115.03(2)degrees, beta = 105.93(2)degrees, gamma = 104.04(2) Angstrom, alpha = 713.43(1) Angstrom(3), Z = 2, mu = 2.173 mm(-1), N-(2-pyr idyl-ethyl)-N'-p-bromophenylthiourea, triclinic, P-1, a = 9.536(1) Angstrom , b = 9.809(1) Angstrom, c = 10.042(2) Angstrom alpha = 115.88(1)degrees, b eta = 96.80(1)degrees, and gamma = 110.44(1)degrees, V = 750.0(6) Angstrom( 3), Z = 2, mu = 28.73 mm(-1), N-(2-pyridyl- ethyl)-N'-p-nitrophenylthiourea , triclinic, P-1, a=8.046(2) Angstrom, b=8.602(3) Angstrom, c=10.938(3) Ang strom, alpha=80.74(3)degrees, beta= 89.77(2)degrees, gamma = 77.00(3)degree s, V = 727.6(6) Angstrom(3), Z = 2, Cc = 2.325 mm(-1) and N-(2-pyridylethyl )-N'-p-methoxyphenylthiourea, monoclinic, P2(1)/n, a = 11.526(2) Angstrom, b = 9.723(2) Angstrom, c = 13.460(2) Angstrom, beta = 100.49(2)degrees, V = 1483.3(2) Angstrom(3), Z = 4, mu = 1.929 mm(-1). All five molecules posses s an intramolecular hydrogen bond between NH and the pyridyl nitrogen, as w ell as intermolecular hydrogen bonding between N'H and a thione sulfur of a second molecule to form centrosymmetric dimers. Solution H-1 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) 20 00 Elsevier Science B.V. All rights reserved.