Theodoro Jahyr E, Mascarenhas Yvonne, Ellena Javier, Estévez-Hernández Osvaldo, Duque Julio
Acta Crystallogr Sect E Struct Rep Online. 2008 Jun 7;64(Pt 7):o1193. doi: 10.1107/S1600536808016012.
The title compound, C(13)H(9)N(3)O(2)S, was synthesized from furoyl isothio-cyanate and 3-amino-benzonitrile in dry acetone. The thio-urea group is in the thio-amide form. The thio-urea fragment makes dihedral angles of 3.91 (16) and 37.83 (12)° with the ketofuran group and the benzene ring, respectively. The mol-ecular geometry is stabilized by N-H⋯O hydrogen bonds. In the crystal structure, centrosymmetrically related mol-ecules are linked by two inter-molecular N-H⋯S hydrogen bonds to form dimers.
标题化合物C(13)H(9)N(3)O(2)S由糠酰异硫氰酸酯和3-氨基苯腈在干燥丙酮中合成。硫脲基团呈硫代酰胺形式。硫脲片段与酮呋喃基团和苯环的二面角分别为3.91 (16)°和37.83 (12)°。分子几何结构通过N-H⋯O氢键得以稳定。在晶体结构中，中心对称相关的分子通过两个分子间N-H⋯S氢键相连形成二聚体。
