O-benzyl-N-(2-furoyl)thiocarbamate

Authors: Montiel-Ortega L.A.¹; Rojas-Lima S.²; Otazo-Sanchez E.³; Villagómez-Ibarra R.²

Source: Journal of Chemical Crystallography, Volume 34, Number 2, February 2004 , pp. 89-93(5)

Publisher: Springer

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Abstract:

The O-benzyl-N-(2-furoyl)thiocarbamate (1) was obtained by direct reaction between furoyl isothiocyanate and benzyl alcohol. The X-ray diffraction analysis of 1 showed an orthorhombic system, with a = 7.811(4) Å, b = 9.685(4) Å, c = 33.562(15) Å, and space group P2₁2₁2₁. This compound showed two different arrays of structure, corresponding to two conformers in the same crystal unit. In one conformer the carbonyl and thiocarbonyl groups are in a syn arrangement while in the other the groups are anti. Both structures present a non-restricted conformation and show NH\bondOC hydrogen bonding between them.

Keywords: O-benzyl-N-(2-furoyl)thiocarbamate; conformation; thiocarbamic acid O-ester

Document Type: Research article

DOI: http://dx.doi.org/10.1023/B:JOCC.0000014694.33182.ff

Affiliations: 1: Centro de Investigaciones Químicas (CIQ), Universidad Autónoma del Estado de Hidalgo, Carretera Pachuca-Tulancingo km 4.5, Ciudad Universitaria, 42074 Pachuca, México;, Email: luisalberto_montiel@chemist.com 2: Centro de Investigaciones Químicas (CIQ), Universidad Autónoma del Estado de Hidalgo, Carretera Pachuca-Tulancingo km 4.5, Ciudad Universitaria, 42074 Pachuca, México 3: Instituto Tecnológico de Toluca (ITT). Av. Instituto Tecnologico s/n Metepec. 52140 Toluca, México

Publication date: 2004-02-01