Crystal structure of (4-meth-oxy-phen-yl)[(4-meth-oxy-phen-yl)phospho-nato]dioxidophosphate(1-) 2-amino-6-benzyl-3-eth-oxy-carbon-yl-4,5,6,7-tetra-hydro-thieno[2,3-c]pyridin-6-ium

Abstract

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.

Keywords: Lawson reagent; crystal structure; hydrogen bonding; mol­ecular salt; thieno­pyridines.

Fig. 1.

Title molecule 1 with labeling scheme and 50% probability ellipsoids. The intramolecular N—H···O hydrogen bond is shown by a dotted line.

Fig. 2.

Title molecule 2 with labeling scheme and 50% probability ellipsoids. The intramolecular N—H···O hydrogen bond is shown by a dotted line.

Fig. 3.

Packing projected onto (011). Intermolecular N—H···O and O—H···O hydrogen bonds are shown, respectively, by blue and red dotted lines.