Bis(2-amino-5-benzyl-3-ethoxycarbonyl4,5,6,7-tetrahydrothieno[3,2-c] pyridin-5ium) bis(4-methoxyphenyl) diphosphonate

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

ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, vol.70, 2014 (ESCI)

• Publication Type: Article / Article
• Volume: 70
• Publication Date: 2014
• Doi Number: 10.1107/s1600536814003766
• Journal Name: ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS
• Journal Indexes: Emerging Sources Citation Index (ESCI), Scopus
• Erciyes University Affiliated: Yes

Abstract

The asymmetric unit of the title salt, 2C(17)H(21)N(2)O(2)S(+) -C14H14O7P22-, contains half of a centrosymmetric bis(4methoxyphenyl) diphosphonate anion and one 2-amino-5benzyl-3-ethoxycarbonyl-4,5,6,7-tetrahydrothieno[3,2-c] pyridin-5-ium cation. In the anion, the O atoms of the diphosphonate group are disordered over two positions with equal occupancies. In the cation, the ethyl group is disordered over two orientations with a refined occupancy ratio of 0.753 (5):0.247 (5), and the tetrahydropyridinium ring adopts a distorted half-chair conformation. In the crystal, the ions are linked by C-H. . .O, N-H. . .O and C-H. . .S hydrogen bonds into a three-dimensional network.