Siddegowda M S, Butcher Ray J, Akkurt Mehmet, Yathirajan H S, Ramesh A R
Acta Crystallogr Sect E Struct Rep Online. 2011 Aug 1;67(Pt 8):o2017-8. doi: 10.1107/S160053681102722X. Epub 2011 Jul 13.
In the title salt, C(23)H(27)F(3)N(2)OS(+)·2C(4)H(3)O(4) (-), a non-merohedral twin [ratio of the twin components = 0.402 (1):0.598 (1)], the -CF(3) group is disordered over two sets of sites with occupancy factors in the ratio 0.873 (2):0.127 (2). The dihedral angle between the two outer aromatic rings of the 9H-thioxanthene unit, whose thio-pyran ring has a screw-boat conformation, is 33.01 (9)°. The diprotonated piperazine ring adopts a chair conformation. In the crystal, inter-molecular O-H⋯O, N-H⋯O and C-H⋯O hydrogen bonds between neighboring mol-ecules form zigzag chains along the a axis and contribute to the stabilization of the packing.
在标题盐C(23)H(27)F(3)N(2)OS(+)·2C(4)H(3)O(4) (-)中，存在一个非镜像孪晶[孪晶组分的比例 = 0.402 (1):0.598 (1)]，-CF(3)基团在两组位置上无序分布，占据因子比例为0.873 (2):0.127 (2)。9H - 噻吨单元的两个外部芳环之间的二面角为33.01 (9)°，其硫代吡喃环具有扭曲船式构象。双质子化哌嗪环呈椅式构象。在晶体中，相邻分子之间的分子间O - H⋯O、N - H⋯O和C - H⋯O氢键沿a轴形成锯齿链，有助于稳定堆积。
