Horishny Volodymyr, Lesyk Roman, Kowiel Marcin, Gzella Andrzej K
Department of Pharmaceutical, Organic and Bioorganic Chemistry, Danylo Halytsky Lviv National Medical University, Pekarska 69, Lviv, 79010, Ukraine.
Acta Crystallogr Sect E Struct Rep Online. 2013 Mar 1;69(Pt 3):o356-7. doi: 10.1107/S1600536813003474. Epub 2013 Feb 9.
The title compound, C15H16N2O5S, is a product of the reaction of 2-(2,4-dimeth-oxy-phenyl-amino)-1,3-thia-zol-4(5H)-one with acetic anhydride. The presence of the acetyl and acet-oxy groups in the mol-ecule indicates that the starting thia-zole exists as a tautomer in the reaction mixture with exocyclic amino and enol moieties. The acetyl group is tilted slightly from the heterocyclic ring plane [dihedral angle = 4.46 (11)°], while the acet-oxy group is almost perpendicular to this ring [dihedral angle = 88.14 (12)°]. An intra-molecular acet-yl-meth-oxy C-H⋯O inter-action is noted. In the crystal, mol-ecules are connected into a three-dimensional architecture by C-H⋯O inter-actions.
标题化合物C₁₅H₁₆N₂O₅S是2-(2,4-二甲氧基-苯基-氨基)-1,3-噻唑-4(5H)-酮与乙酸酐反应的产物。分子中乙酰基和乙酰氧基的存在表明起始噻唑在反应混合物中以具有环外氨基和烯醇部分的互变异构体形式存在。乙酰基相对于杂环平面略有倾斜[二面角 = 4.46 (11)°]，而乙酰氧基几乎垂直于该环[二面角 = 88.14 (12)°]。注意到分子内存在乙酰基-甲氧基C-H⋯O相互作用。在晶体中，分子通过C-H⋯O相互作用连接成三维结构。
