Crystal structure of (4-methoxyphenyl)[(4-methoxyphenyl) phosphonato]dioxidophosphate(1-) 2-amino-6-benzyl-3-ethoxycarbonyl-4,5,6,7-tetrahydrothieno[2,3-c] pyridin-6-ium

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Mague J. T. , Mohamed S. K. , AKKURT M. , Younes S. H. H. , Ahmed E. K. , Albayati M. R.

ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, vol.71, 2015 (Journal Indexed in ESCI) identifier identifier identifier

  • Publication Type: Article / Article
  • Volume: 71
  • Publication Date: 2015
  • Doi Number: 10.1107/s2056989015022331


The asymmetric unit of the title mol-ecular salt, C17H21N2O2S+ center dot C14H15O7P2- , comprises two cations and two anions. Each cation features an intra-molecular N-H center dot center dot center dot 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)degrees. In each case, the diphosphate groups are close to eclipsed [C-P center dot center dot center dot P-C pseudo-torsion angles = 11.6 (2) and -19.3 (2)degrees]. 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 center dot center dot center dot O and N-H center dot center dot center dot O hydrogen bonds link the components into [100] chains. Numerous C-H center dot center dot center dot O inter-actions cross-link the chains into a three-dimensional network.