Ham Zoran, Meden Anton, Kasunič Marta
Lek Pharmaceuticals, Sandoz Development Centre Slovenia, Verovškova 57, SI-1526 Ljubljana, Slovenia.
Acta Crystallogr Sect E Struct Rep Online. 2013 Mar 9;69(Pt 4):o516-7. doi: 10.1107/S1600536813005254. Print 2013 Apr 1.
The title compound, 2C20H29N2O5S(+)·C6H8O4 (2-)·4H2O, which was found to be optically active, is a relatively rare example of a chiral compound crystallizing in the triclinic crystal system. The dihedral angles between the phenyl rings of the cations are 60.03 (15) and 62.03 (16)°, while the C atoms of the anion are almost coplanar (r.m.s. deviation 0.085 Å) and all trans to each other. In the crystal, the components are connected by an extensive network of N-H⋯O and O-H⋯O hydrogen bonds. The sulfonamide groups link the cations into pairs via two N-H⋯O hydrogen bonds about the pseudo-inversion centre, leading to the formation of R 2 (2)(8) rings. The anions are stacked in between four cationic pairs. Pairs of water mol-ecules bridge the larger building units, forming hydrogen bonds with the remaining two O atoms of the anion.
标题化合物2C₂₀H₂₉N₂O₅S⁺·C₆H₈O₄²⁻·4H₂O被发现具有光学活性，是在三斜晶系中结晶的手性化合物的一个相对罕见的例子。阳离子苯环之间的二面角为60.03 (15)°和62.03 (16)°，而阴离子的C原子几乎共面（均方根偏差为0.085 Å）且全部相互反式排列。在晶体中，各组分通过广泛的N-H⋯O和O-H⋯O氢键网络相连。磺酰胺基团通过围绕假反演中心的两个N-H⋯O氢键将阳离子连接成二聚体，导致形成R₂²(8)环。阴离子堆积在四个阳离子二聚体之间。水分子对桥接较大的结构单元，与阴离子的其余两个O原子形成氢键。
