Arman Hadi D, Kaulgud Trupta, Tiekink Edward R T
Acta Crystallogr Sect E Struct Rep Online. 2012 Sep 1;68(Pt 9):o2662-3. doi: 10.1107/S1600536812034459. Epub 2012 Aug 8.
Two pairs of independent cations and anions comprise the asymmetric unit of the title salt, C(6)H(16)NO(+)·C(9)H(8)N(3)O(2)S(2) (-). The cations are virtually superimposable and each exhibits a gauche disposition of the hy-droxy O and ammonium N atoms [the O-C-C-N torsion angles are 55.5 (3) and 57.5 (3)°]. Significant differences are seen in the mol-ecular structures of the anions as seen in the S-N-C-S [1.1 (3) and 32.9 (3)°] and C-S-N-C [-69.7 (2) and 91.4 (2)°] torsion angles. Despite the variations in conformation, intra-molecular hypervalent S⋯O inter-actions persist in each anion [3.078 (2) and 2.8730 (19) Å]. In the crystal, supra-molecular double layers are formed in the bc plane, being sustained by O-H⋯N, N-H⋯O and N-H⋯N hydrogen bonding. These are connected along the a axis via C-H⋯O inter-actions.
标题盐C(6)H(16)NO(+)·C(9)H(8)N(3)O(2)S(2) (-)的不对称单元由两对独立的阳离子和阴离子组成。阳离子实际上是重叠的，每个阳离子的羟基O和铵N原子都呈现出gauche构象[O-C-C-N扭转角分别为55.5 (3)°和57.5 (3)°]。阴离子的分子结构存在显著差异，如S-N-C-S扭转角[1.1 (3)°和32.9 (3)°]以及C-S-N-C扭转角[-69.7 (2)°和91.4 (2)°]。尽管构象有所变化，但每个阴离子中仍存在分子内的高价S⋯O相互作用[3.078 (2) Å和2.8730 (19) Å]。在晶体中，超分子双层在bc平面形成，由O-H⋯N、N-H⋯O和N-H⋯N氢键维持。这些双层通过C-H⋯O相互作用沿a轴连接。
