Theodoro Jahyr E, Estévez-Hernández O, Ellena J, Duque J, Corrêa Rodrigo S
Acta Crystallogr Sect E Struct Rep Online. 2009 Apr 10;65(Pt 5):o1012. doi: 10.1107/S1600536809013038.
The title compound, C(13)H(9)F(3)N(2)O(2)S, crystallizes with two independent mol-ecules in the asymmetric unit. The central thio-urea core is roughly coplanar with the furan and benzene rings, showing O-C-N-C(S) torsion angles of 2.3 (4) and -11.4 (2)° and (S)C-N-C-C torsion angles of -2.4 (4) and -28.8 (4)°, respectively, in the two independent mol-ecules. The trans-cis geometry of the thio-urea fragment is stabilized by an intra-molecular N-H⋯O hydrogen bond between the H atom of the cis thio-amide and the carbonyl O atom. In the crystal structure, inter-molecular N-H⋯S hydrogen bonds form centrosymmetric dimers extending along the b axis.
标题化合物C(13)H(9)F(3)N(2)O(2)S在不对称单元中以两个独立分子结晶。中心硫脲核心与呋喃环和苯环大致共面，在两个独立分子中，O-C-N-C(S)扭转角分别为2.3 (4)°和 -11.4 (2)°，(S)C-N-C-C扭转角分别为 -2.4 (4)°和 -28.8 (4)°。硫脲片段的反式-顺式几何构型通过顺式硫代酰胺的H原子与羰基O原子之间的分子内N-H⋯O氢键得以稳定。在晶体结构中，分子间N-H⋯S氢键形成沿b轴延伸的中心对称二聚体。
