Crystal Structure of 1-Thiocarbamoyl

Abstract

The title compounds, 1-thiocarbamoyl-3,5-di(2-thienyl)-2-pyrazoline, C<inf>12</inf>H<inf>11</inf>N<inf>3</inf>S<inf>3</inf>, crystallizes in the monoclinic space group C2/c with the following unit-cell parameters: a = 23.6982(18)Å, b = 7.9154(6)Å, c = 16.7132(14)Å, β = 124.719(6) ° and V = 2576.9(4)Å3. The crystal structure was solved with a final R = 0.0297 using 3030 independent reflections. The molecule is composed of a pyrazoline moiety containing two thiophene groups, which are oriented in opposite directions. The pyrazoline rings adopt an envelope conformation, and the N atom is involved in an intermolecular N-H···N (pyrazoline) hydrogen bond. Also, the crystal structures are stabilized by intra and intermolecular hydrogen bonds, as well as C-H···π stacking interactions. 2007 © The Japan Society for Analytical Chemistry.