Mague Joel T, Mohamed Shaaban K, Akkurt Mehmet, Younes Sabry H H, Ahmed Essam K, Albayati Mustafa R
Department of Chemistry, Tulane University, New Orleans, LA 70118, USA.
Chemistry and Environmental Division, Manchester Metropolitan University, Manchester, M1 5GD, England; Chemistry Department, Faculty of Science, Minia University, 61519 El-Minia, Egypt.
Acta Crystallogr E Crystallogr Commun. 2015 Nov 28;71(Pt 12):o997-8. doi: 10.1107/S2056989015022331. eCollection 2015 Dec 1.
The asymmetric unit of the title mol-ecular salt, C17H21N2O2S(+)·C14H15O7P2 (-), comprises two cations and two anions. Each cation features an intra-molecular N-H⋯O hydrogen bond, which closes an S(6) ring; in each case the hydro-pyridine ring adopts a half-chair conformation. In the anions, the dihedral angles between the aromatic rings are 64.1 (2) and 54.9 (2)°. In each case, the diphosphate groups are close to eclipsed [C-P⋯P-C pseudo-torsion angles = 11.6 (2) and -19.3 (2)°]. One of the meth-oxy groups in each anion is disordered over two orientations in a 0.539 (18):0.461 (18) ratio in one anion and 0.82 (2):0.18 (2) in the other. In the crystal, O-H⋯O and N-H⋯O hydrogen bonds link the components into [100] chains. Numerous C-H⋯O inter-actions cross-link the chains into a three-dimensional network.
标题分子盐C17H21N2O2S(+)·C14H15O7P2 (-)的不对称单元包含两个阳离子和两个阴离子。每个阳离子具有一个分子内N-H⋯O氢键，形成一个S(6)环；在每种情况下，氢化吡啶环均呈半椅构象。在阴离子中，芳环之间的二面角分别为64.1 (2)°和54.9 (2)°。在每种情况下，二磷酸基团接近重叠构象[C-P⋯P-C伪扭转角 = 11.6 (2)°和 -19.3 (2)°]。每个阴离子中的一个甲氧基在两种取向上无序，在一个阴离子中的比例为0.539 (18):0.461 (18)，在另一个阴离子中的比例为0.82 (2):0.18 (2)。在晶体中，O-H⋯O和N-H⋯O氢键将各组分连接成[100]链。大量的C-H⋯O相互作用将这些链交联成三维网络。
