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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
The asymmetric unit of the title molecular salt, C(17)H(21)N(2)O(2)S(+)·C(14)H(15)O(7)P(2) (−), comprises two cations and two anions. Each cation features an intramolecular N—H⋯O hydrogen bond, which closes an S(6) ring; in each case the hydropyridine ring adopts a half-chair conformation. In the...
Autores principales: | , , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2015
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4719942/ https://www.ncbi.nlm.nih.gov/pubmed/26870570 http://dx.doi.org/10.1107/S2056989015022331 |
Sumario: | The asymmetric unit of the title molecular salt, C(17)H(21)N(2)O(2)S(+)·C(14)H(15)O(7)P(2) (−), comprises two cations and two anions. Each cation features an intramolecular N—H⋯O hydrogen bond, which closes an S(6) ring; in each case the hydropyridine 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 methoxy 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 interactions cross-link the chains into a three-dimensional network. |
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