Luis Alberto Montiel Ortega, Susana Rojas-Lima, Elena Otazo Sanchez, Roberto Villagómez Ibarra. O-benzyl-N-(2-furoyl)thiocarbamate. Journal of Chemical Crystallography 34, 2, 89-93 (2004). http://dx.doi.org/10.1023/B:JOCC.0000014694.33182.ff
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.