Estévez-Hernández O, Duque J, Pérez H, Santos S, Mascarenhas Y
Acta Crystallogr Sect E Struct Rep Online. 2009 Mar 31;65(Pt 4):o929-30. doi: 10.1107/S1600536809011301.
The title compound, C(11)H(9)N(3)O(2)S, crystallizes with two independent mol-ecules in the asymmetric unit. The central thio-urea core makes dihedral angles of -3.3 (3) and 0.6 (3)° with the furan carbonyl groups in each mol-ecule, whereas the pyridine ring is inclined by 4.63 (2) and 11.28 (7)°, respectively. The trans-cis geometry of the thio-urea fragment is stabilized by an intra-molecular N-H⋯N hydrogen bond between the H atom of the cis-thio-amide group and the pyridine N atom. In the crystal structure, inter-molecular bifurcated N-H⋯S and N-H⋯O hydrogen bonds form centrosymmetric tetra-mers extending along the b axis.
标题化合物C(11)H(9)N(3)O(2)S在不对称单元中以两个独立分子结晶。中心硫脲核心与每个分子中的呋喃羰基的二面角分别为-3.3 (3)°和0.6 (3)°，而吡啶环分别倾斜4.63 (2)°和11.28 (7)°。硫脲片段的反式-顺式几何构型通过顺式硫代酰胺基团的H原子与吡啶N原子之间的分子内N-H⋯N氢键得以稳定。在晶体结构中，分子间的分叉N-H⋯S和N-H⋯O氢键形成沿b轴延伸的中心对称四聚体。
