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. 2015 Nov 28;71(Pt 12):o997-8.
doi: 10.1107/S2056989015022331. eCollection 2015 Dec 1.

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

Joel T Mague  1 , Shaaban K Mohamed  2 , Mehmet Akkurt  3 , Sabry H H Younes  4 , Essam K Ahmed  5 , Mustafa R Albayati  6
Affiliations

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

Joel T Mague et al. Acta Crystallogr E Crystallogr Commun. .

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.

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Figures

Fig. 1.
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.
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.
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.
See this image and copyright information in PMC

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