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, C17H21N2O2S+·C14H15O7P2−, 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...
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| Format: | Article |
| Language: | English |
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International Union of Crystallography
2015-12-01
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| Series: | Acta Crystallographica Section E: Crystallographic Communications |
| Subjects: | |
| Online Access: | http://scripts.iucr.org/cgi-bin/paper?S2056989015022331 |
| _version_ | 1798024387862986752 |
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| author | Joel T. Mague Shaaban K. Mohamed Mehmet Akkurt Sabry H. H. Younes Essam K. Ahmed Mustafa R. Albayati |
| author_facet | Joel T. Mague Shaaban K. Mohamed Mehmet Akkurt Sabry H. H. Younes Essam K. Ahmed Mustafa R. Albayati |
| author_sort | Joel T. Mague |
| collection | DOAJ |
| description | The asymmetric unit of the title molecular salt, C17H21N2O2S+·C14H15O7P2−, 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. |
| first_indexed | 2024-04-11T18:01:35Z |
| format | Article |
| id | doaj.art-1d259caae92f495d99545e8152f7f49b |
| institution | Directory Open Access Journal |
| issn | 2056-9890 |
| language | English |
| last_indexed | 2024-04-11T18:01:35Z |
| publishDate | 2015-12-01 |
| publisher | International Union of Crystallography |
| record_format | Article |
| series | Acta Crystallographica Section E: Crystallographic Communications |
| spelling | doaj.art-1d259caae92f495d99545e8152f7f49b2022-12-22T04:10:26ZengInternational Union of CrystallographyActa Crystallographica Section E: Crystallographic Communications2056-98902015-12-017112o997o99810.1107/S2056989015022331hb7549Crystal 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-iumJoel T. Mague0Shaaban K. Mohamed1Mehmet Akkurt2Sabry H. H. Younes3Essam K. Ahmed4Mustafa R. Albayati5Department of Chemistry, Tulane University, New Orleans, LA 70118, USAChemistry and Environmental Division, Manchester Metropolitan University, Manchester, M1 5GD, EnglandDepartment of Physics, Faculty of Sciences, Erciyes University, 38039 Kayseri, TurkeyChemistry Department, Faculty of Science, Sohag University, 82524 Sohag, EgyptChemistry Department, Faculty of Science, Minia University, 61519 El-Minia, EgyptKirkuk University, College of Science, Department of Chemistry, Kirkuk, IraqThe asymmetric unit of the title molecular salt, C17H21N2O2S+·C14H15O7P2−, 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.http://scripts.iucr.org/cgi-bin/paper?S2056989015022331crystal structurethienopyridinesLawson reagentmolecular salthydrogen bonding |
| spellingShingle | Joel T. Mague Shaaban K. Mohamed Mehmet Akkurt Sabry H. H. Younes Essam K. Ahmed Mustafa R. Albayati 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 Acta Crystallographica Section E: Crystallographic Communications crystal structure thienopyridines Lawson reagent molecular salt hydrogen bonding |
| title | 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 |
| title_full | 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 |
| title_fullStr | 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 |
| title_full_unstemmed | 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 |
| title_short | 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 |
| title_sort | 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 |
| topic | crystal structure thienopyridines Lawson reagent molecular salt hydrogen bonding |
| url | http://scripts.iucr.org/cgi-bin/paper?S2056989015022331 |
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